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/MALAT1-17mer-d08088ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17mer-d08088ee/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/MALAT1-17mer-d08088ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17mer-d08088ee/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/MALAT1-17mer-d08088ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17mer-d08088ee/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/MALAT1-17mer-d08088ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17mer-d08088ee/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/MALAT1-17mer-d08088ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17mer-d08088ee/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/MALAT1-17mer-d08088ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17mer-d08088ee/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/MALAT1-17mer-d08088ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17mer-d08088ee/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/MALAT1-17mer-d08088ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17mer-d08088ee/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/MALAT1-17mer-d08088ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17mer-d08088ee/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/MALAT1-17mer-d08088ee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-17mer-d08088ee/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: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -77.157068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.157068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.157068 (E_RNA)
where:
Base-Base interactions energy: -36.071
where: short stacking energy: -21.277
Base-Backbone interact. energy: -1.772
local terms energy: -39.313850
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -6.830
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -65.587229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.587229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.587229 (E_RNA)
where:
Base-Base interactions energy: -27.918
where: short stacking energy: -13.220
Base-Backbone interact. energy: -0.078
local terms energy: -37.592088
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -8.596
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -7.705
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: 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: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -150.329067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.329067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.329067 (E_RNA)
where:
Base-Base interactions energy: -104.546
where: short stacking energy: -36.013
Base-Backbone interact. energy: -0.191
local terms energy: -45.591917
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -5.493
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: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -146.638296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.638296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.638296 (E_RNA)
where:
Base-Base interactions energy: -92.776
where: short stacking energy: -37.694
Base-Backbone interact. energy: -0.833
local terms energy: -53.028893
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -9.761
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: 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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -71.583259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.583259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.583259 (E_RNA)
where:
Base-Base interactions energy: -33.631
where: short stacking energy: -12.064
Base-Backbone interact. energy: -0.187
local terms energy: -37.765054
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -9.922
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: 2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -72.057144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.057144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.057144 (E_RNA)
where:
Base-Base interactions energy: -47.630
where: short stacking energy: -15.787
Base-Backbone interact. energy: -0.463
local terms energy: -23.964086
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -7.827
flat angles P-C4'-P energy: 5.851
tors. eta vs tors. theta energy: 1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -142.244486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.244486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.244486 (E_RNA)
where:
Base-Base interactions energy: -98.732
where: short stacking energy: -24.013
Base-Backbone interact. energy: -1.713
local terms energy: -41.800027
where:
bonds (distance) C4'-P energy: -8.697
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -9.759
flat angles P-C4'-P energy: -5.222
tors. eta vs tors. theta energy: -4.513
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: 5
Temperature: 0.950000
Total energy: -155.194655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.194655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.194655 (E_RNA)
where:
Base-Base interactions energy: -105.983
where: short stacking energy: -38.423
Base-Backbone interact. energy: -0.135
local terms energy: -49.076355
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -6.698
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -8.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 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: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -84.081662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.081662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.081662 (E_RNA)
where:
Base-Base interactions energy: -46.685
where: short stacking energy: -14.268
Base-Backbone interact. energy: -0.131
local terms energy: -37.265971
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: 1.420
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: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -92.010856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.010856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.010856 (E_RNA)
where:
Base-Base interactions energy: -36.755
where: short stacking energy: -31.779
Base-Backbone interact. energy: -0.750
local terms energy: -54.505782
where:
bonds (distance) C4'-P energy: -7.260
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -11.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -92.525144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.525144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.525144 (E_RNA)
where:
Base-Base interactions energy: -48.429
where: short stacking energy: -24.708
Base-Backbone interact. energy: -0.228
local terms energy: -43.867936
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -8.356
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -4.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -73.325730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.325730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.325730 (E_RNA)
where:
Base-Base interactions energy: -24.396
where: short stacking energy: -24.396
Base-Backbone interact. energy: -0.353
local terms energy: -48.576692
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -10.130
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -10.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -182.907786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.907786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.907786 (E_RNA)
where:
Base-Base interactions energy: -120.343
where: short stacking energy: -45.764
Base-Backbone interact. energy: -0.125
local terms energy: -62.439703
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -146.696061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.696061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.696061 (E_RNA)
where:
Base-Base interactions energy: -95.525
where: short stacking energy: -31.577
Base-Backbone interact. energy: 0.421
local terms energy: -51.592131
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -6.078
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: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -139.240725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.240725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.240725 (E_RNA)
where:
Base-Base interactions energy: -82.795
where: short stacking energy: -32.811
Base-Backbone interact. energy: -0.428
local terms energy: -56.017585
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -8.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -97.858299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.858299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.858299 (E_RNA)
where:
Base-Base interactions energy: -53.579
where: short stacking energy: -12.692
Base-Backbone interact. energy: -2.055
local terms energy: -42.224601
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -6.229
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: 5, replica: 9
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -87.284050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.284050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.284050 (E_RNA)
where:
Base-Base interactions energy: -44.866
where: short stacking energy: -19.624
Base-Backbone interact. energy: -0.352
local terms energy: -42.065836
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -9.684
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -79.986551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.986551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.986551 (E_RNA)
where:
Base-Base interactions energy: -24.591
where: short stacking energy: -24.591
Base-Backbone interact. energy: -0.186
local terms energy: -55.209263
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -6.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -73.599967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.599967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.599967 (E_RNA)
where:
Base-Base interactions energy: -37.272
where: short stacking energy: -16.434
Base-Backbone interact. energy: 0.371
local terms energy: -36.699031
where:
bonds (distance) C4'-P energy: -6.950
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -4.008
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -73.554530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.554530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.554530 (E_RNA)
where:
Base-Base interactions energy: -29.770
where: short stacking energy: -23.593
Base-Backbone interact. energy: -0.101
local terms energy: -43.683868
where:
bonds (distance) C4'-P energy: -6.713
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -8.470
flat angles P-C4'-P energy: -7.719
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: 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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -179.831588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.831588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.831588 (E_RNA)
where:
Base-Base interactions energy: -114.445
where: short stacking energy: -48.184
Base-Backbone interact. energy: -0.003
local terms energy: -65.383001
where:
bonds (distance) C4'-P energy: -8.824
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -179.841894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.841894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.841894 (E_RNA)
where:
Base-Base interactions energy: -114.926
where: short stacking energy: -46.311
Base-Backbone interact. energy: -0.000
local terms energy: -64.915561
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -136.708060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.708060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.708060 (E_RNA)
where:
Base-Base interactions energy: -86.090
where: short stacking energy: -39.833
Base-Backbone interact. energy: -0.026
local terms energy: -50.592796
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -8.421
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -12.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -75.798356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.798356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.798356 (E_RNA)
where:
Base-Base interactions energy: -25.223
where: short stacking energy: -25.223
Base-Backbone interact. energy: 0.368
local terms energy: -50.943726
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -2.199
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: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -125.802639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.802639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.802639 (E_RNA)
where:
Base-Base interactions energy: -77.002
where: short stacking energy: -36.838
Base-Backbone interact. energy: 0.166
local terms energy: -48.967481
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -10.035
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -10.054
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: 2
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -72.250970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.250970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.250970 (E_RNA)
where:
Base-Base interactions energy: -30.804
where: short stacking energy: -14.501
Base-Backbone interact. energy: -0.293
local terms energy: -41.154447
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -8.313
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: 2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -63.114844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.114844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.114844 (E_RNA)
where:
Base-Base interactions energy: -19.726
where: short stacking energy: -19.726
Base-Backbone interact. energy: -0.127
local terms energy: -43.262090
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -2.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 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: 7
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -71.810911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.810911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.810911 (E_RNA)
where:
Base-Base interactions energy: -29.694
where: short stacking energy: -20.626
Base-Backbone interact. energy: -0.233
local terms energy: -41.883604
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 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: -179.488300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.488300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.488300 (E_RNA)
where:
Base-Base interactions energy: -116.819
where: short stacking energy: -41.143
Base-Backbone interact. energy: 0.132
local terms energy: -62.800916
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -178.257242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.257242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.257242 (E_RNA)
where:
Base-Base interactions energy: -117.757
where: short stacking energy: -52.104
Base-Backbone interact. energy: 1.472
local terms energy: -61.971871
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -9.072
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -9.237
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: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -133.020707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.020707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.020707 (E_RNA)
where:
Base-Base interactions energy: -83.402
where: short stacking energy: -39.082
Base-Backbone interact. energy: -0.009
local terms energy: -49.609245
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -9.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -77.895987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.895987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.895987 (E_RNA)
where:
Base-Base interactions energy: -38.588
where: short stacking energy: -14.054
Base-Backbone interact. energy: -0.144
local terms energy: -39.164179
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -2.862
tors. eta vs tors. theta energy: 1.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -68.471410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.471410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.471410 (E_RNA)
where:
Base-Base interactions energy: -31.072
where: short stacking energy: -17.147
Base-Backbone interact. energy: 0.124
local terms energy: -37.522679
where:
bonds (distance) C4'-P energy: -6.498
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -8.883
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -3.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -136.646620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.646620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.646620 (E_RNA)
where:
Base-Base interactions energy: -90.359
where: short stacking energy: -35.157
Base-Backbone interact. energy: -0.056
local terms energy: -46.231920
where:
bonds (distance) C4'-P energy: -7.430
bonds (distance) P-C4' energy: -6.725
flat angles C4'-P-C4' energy: -7.461
flat angles P-C4'-P energy: -9.411
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: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -69.067444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.067444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.067444 (E_RNA)
where:
Base-Base interactions energy: -28.335
where: short stacking energy: -11.544
Base-Backbone interact. energy: 1.020
local terms energy: -41.751928
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -9.478
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: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -59.689848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.689848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.689848 (E_RNA)
where:
Base-Base interactions energy: -17.634
where: short stacking energy: -4.459
Base-Backbone interact. energy: -0.184
local terms energy: -41.872674
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -9.711
flat angles P-C4'-P energy: -7.977
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: 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: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -62.856255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.856255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.856255 (E_RNA)
where:
Base-Base interactions energy: -24.422
where: short stacking energy: -10.379
Base-Backbone interact. energy: -0.014
local terms energy: -38.419737
where:
bonds (distance) C4'-P energy: -6.349
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -9.929
flat angles P-C4'-P energy: -6.510
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: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -181.076431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.076431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.076431 (E_RNA)
where:
Base-Base interactions energy: -115.995
where: short stacking energy: -50.624
Base-Backbone interact. energy: -0.010
local terms energy: -65.071185
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -142.417694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.417694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.417694 (E_RNA)
where:
Base-Base interactions energy: -82.010
where: short stacking energy: -36.597
Base-Backbone interact. energy: -0.176
local terms energy: -60.231536
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -13.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -176.444078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.444078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.444078 (E_RNA)
where:
Base-Base interactions energy: -112.977
where: short stacking energy: -44.467
Base-Backbone interact. energy: -0.597
local terms energy: -62.870022
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -10.544
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: 4, replica: 9
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -87.611016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.611016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.611016 (E_RNA)
where:
Base-Base interactions energy: -38.993
where: short stacking energy: -28.876
Base-Backbone interact. energy: 1.179
local terms energy: -49.796901
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -5.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -76.212586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.212586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.212586 (E_RNA)
where:
Base-Base interactions energy: -27.439
where: short stacking energy: -18.018
Base-Backbone interact. energy: -0.064
local terms energy: -48.708702
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -9.504
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: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -124.032290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.032290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.032290 (E_RNA)
where:
Base-Base interactions energy: -73.929
where: short stacking energy: -26.330
Base-Backbone interact. energy: -0.094
local terms energy: -50.009941
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -6.532
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: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -59.300739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.300739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.300739 (E_RNA)
where:
Base-Base interactions energy: -14.669
where: short stacking energy: -13.906
Base-Backbone interact. energy: -0.094
local terms energy: -44.537045
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: 0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 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: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -59.112438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.112438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.112438 (E_RNA)
where:
Base-Base interactions energy: -11.738
where: short stacking energy: -5.742
Base-Backbone interact. energy: -1.029
local terms energy: -46.345319
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -2.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -69.520060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.520060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.520060 (E_RNA)
where:
Base-Base interactions energy: -33.958
where: short stacking energy: -9.860
Base-Backbone interact. energy: -0.093
local terms energy: -35.469394
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -8.441
flat angles C4'-P-C4' energy: -7.900
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -0.383
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: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -184.104617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.104617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.104617 (E_RNA)
where:
Base-Base interactions energy: -121.752
where: short stacking energy: -52.320
Base-Backbone interact. energy: -0.012
local terms energy: -62.340227
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -9.052
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -18.036
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: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -124.313766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.313766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.313766 (E_RNA)
where:
Base-Base interactions energy: -70.331
where: short stacking energy: -31.253
Base-Backbone interact. energy: -0.104
local terms energy: -53.879434
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -9.626
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -12.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -172.035259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.035259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.035259 (E_RNA)
where:
Base-Base interactions energy: -115.866
where: short stacking energy: -39.736
Base-Backbone interact. energy: -0.193
local terms energy: -55.976575
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -11.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -94.515674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.515674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.515674 (E_RNA)
where:
Base-Base interactions energy: -46.451
where: short stacking energy: -32.287
Base-Backbone interact. energy: -0.009
local terms energy: -48.055241
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -129.833645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.833645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.833645 (E_RNA)
where:
Base-Base interactions energy: -85.400
where: short stacking energy: -25.774
Base-Backbone interact. energy: -0.137
local terms energy: -44.296132
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -7.531
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -3.797
tors. eta vs tors. theta energy: -8.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -62.348000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.348000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.348000 (E_RNA)
where:
Base-Base interactions energy: -17.519
where: short stacking energy: -15.164
Base-Backbone interact. energy: -0.115
local terms energy: -44.714774
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -8.730
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: 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: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -60.601979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.601979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.601979 (E_RNA)
where:
Base-Base interactions energy: -22.919
where: short stacking energy: -12.464
Base-Backbone interact. energy: -0.451
local terms energy: -37.232415
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -7.235
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: 4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -55.226878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.226878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.226878 (E_RNA)
where:
Base-Base interactions energy: -22.739
where: short stacking energy: -11.473
Base-Backbone interact. energy: -1.014
local terms energy: -31.474327
where:
bonds (distance) C4'-P energy: -6.075
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -4.327
tors. eta vs tors. theta energy: 2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -54.949267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.949267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.949267 (E_RNA)
where:
Base-Base interactions energy: -15.642
where: short stacking energy: -10.296
Base-Backbone interact. energy: -0.104
local terms energy: -39.202839
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -7.499
flat angles P-C4'-P energy: -3.481
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: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -185.529064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.529064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.529064 (E_RNA)
where:
Base-Base interactions energy: -115.712
where: short stacking energy: -49.223
Base-Backbone interact. energy: -0.028
local terms energy: -69.789322
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -175.133676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.133676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.133676 (E_RNA)
where:
Base-Base interactions energy: -110.033
where: short stacking energy: -46.807
Base-Backbone interact. energy: -1.017
local terms energy: -64.083518
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -132.218883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.218883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.218883 (E_RNA)
where:
Base-Base interactions energy: -81.065
where: short stacking energy: -21.600
Base-Backbone interact. energy: -0.237
local terms energy: -50.917209
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -11.388
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -6.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -160.044391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.044391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.044391 (E_RNA)
where:
Base-Base interactions energy: -104.945
where: short stacking energy: -34.478
Base-Backbone interact. energy: -0.233
local terms energy: -54.866191
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -11.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -96.422292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.422292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.422292 (E_RNA)
where:
Base-Base interactions energy: -59.382
where: short stacking energy: -17.206
Base-Backbone interact. energy: -0.234
local terms energy: -36.805653
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -7.791
flat angles C4'-P-C4' energy: -3.683
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 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: -63.508683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.508683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.508683 (E_RNA)
where:
Base-Base interactions energy: -17.605
where: short stacking energy: -14.078
Base-Backbone interact. energy: -0.251
local terms energy: -45.652608
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -0.703
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: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -62.907857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.907857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.907857 (E_RNA)
where:
Base-Base interactions energy: -31.757
where: short stacking energy: -14.474
Base-Backbone interact. energy: -0.350
local terms energy: -30.800000
where:
bonds (distance) C4'-P energy: -9.277
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -6.566
flat angles P-C4'-P energy: -0.770
tors. eta vs tors. theta energy: -3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -69.423486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.423486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.423486 (E_RNA)
where:
Base-Base interactions energy: -28.995
where: short stacking energy: -18.098
Base-Backbone interact. energy: -1.635
local terms energy: -38.793169
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -8.198
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -57.624564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.624564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.624564 (E_RNA)
where:
Base-Base interactions energy: -10.492
where: short stacking energy: -8.370
Base-Backbone interact. energy: -0.238
local terms energy: -46.895131
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -1.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -176.794893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.794893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.794893 (E_RNA)
where:
Base-Base interactions energy: -114.098
where: short stacking energy: -46.031
Base-Backbone interact. energy: -0.001
local terms energy: -62.696222
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -179.993295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.993295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.993295 (E_RNA)
where:
Base-Base interactions energy: -116.022
where: short stacking energy: -51.783
Base-Backbone interact. energy: -0.010
local terms energy: -63.961932
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -157.080446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.080446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.080446 (E_RNA)
where:
Base-Base interactions energy: -100.755
where: short stacking energy: -35.617
Base-Backbone interact. energy: -0.200
local terms energy: -56.124870
where:
bonds (distance) C4'-P energy: -8.002
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -11.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -121.478806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.478806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.478806 (E_RNA)
where:
Base-Base interactions energy: -68.231
where: short stacking energy: -26.272
Base-Backbone interact. energy: 0.376
local terms energy: -53.623660
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -11.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -90.844428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.844428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.844428 (E_RNA)
where:
Base-Base interactions energy: -49.041
where: short stacking energy: -15.219
Base-Backbone interact. energy: -0.725
local terms energy: -41.078648
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -6.713
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: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -91.275233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.275233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.275233 (E_RNA)
where:
Base-Base interactions energy: -45.209
where: short stacking energy: -28.637
Base-Backbone interact. energy: -0.108
local terms energy: -45.957329
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -7.356
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: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -72.514592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.514592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.514592 (E_RNA)
where:
Base-Base interactions energy: -28.079
where: short stacking energy: -9.875
Base-Backbone interact. energy: -0.921
local terms energy: -43.514258
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -10.479
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -8.554
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: 8, replica: 2
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -62.572525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.572525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.572525 (E_RNA)
where:
Base-Base interactions energy: -19.573
where: short stacking energy: -9.308
Base-Backbone interact. energy: -0.827
local terms energy: -42.171593
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -5.689
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: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -71.149487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.149487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.149487 (E_RNA)
where:
Base-Base interactions energy: -38.777
where: short stacking energy: -21.000
Base-Backbone interact. energy: -0.055
local terms energy: -32.317399
where:
bonds (distance) C4'-P energy: -5.496
bonds (distance) P-C4' energy: -8.873
flat angles C4'-P-C4' energy: -6.096
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -5.783
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: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -56.642395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.642395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.642395 (E_RNA)
where:
Base-Base interactions energy: -21.379
where: short stacking energy: -5.263
Base-Backbone interact. energy: -0.789
local terms energy: -34.474826
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -5.173
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: 1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -178.587553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.587553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.587553 (E_RNA)
where:
Base-Base interactions energy: -112.418
where: short stacking energy: -41.448
Base-Backbone interact. energy: -0.037
local terms energy: -66.131896
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -182.783427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.783427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.783427 (E_RNA)
where:
Base-Base interactions energy: -116.181
where: short stacking energy: -45.113
Base-Backbone interact. energy: -0.047
local terms energy: -66.555387
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -16.265
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: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -138.600949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.600949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.600949 (E_RNA)
where:
Base-Base interactions energy: -92.015
where: short stacking energy: -30.501
Base-Backbone interact. energy: -0.538
local terms energy: -46.047333
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -8.277
flat angles P-C4'-P energy: -5.574
tors. eta vs tors. theta energy: -6.841
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: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -133.089085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.089085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.089085 (E_RNA)
where:
Base-Base interactions energy: -74.760
where: short stacking energy: -26.288
Base-Backbone interact. energy: -0.158
local terms energy: -58.171452
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -10.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -83.469941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.469941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.469941 (E_RNA)
where:
Base-Base interactions energy: -42.376
where: short stacking energy: -18.429
Base-Backbone interact. energy: 0.163
local terms energy: -41.256800
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: 1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -107.428721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.428721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.428721 (E_RNA)
where:
Base-Base interactions energy: -56.116
where: short stacking energy: -26.025
Base-Backbone interact. energy: -0.138
local terms energy: -51.174476
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -6.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -70.434336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.434336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.434336 (E_RNA)
where:
Base-Base interactions energy: -28.713
where: short stacking energy: -20.157
Base-Backbone interact. energy: 0.027
local terms energy: -41.748251
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: -1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -68.830426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.830426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.830426 (E_RNA)
where:
Base-Base interactions energy: -26.853
where: short stacking energy: -14.462
Base-Backbone interact. energy: 0.773
local terms energy: -42.750427
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -7.235
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: 0.128
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: 2
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -60.337628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.337628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.337628 (E_RNA)
where:
Base-Base interactions energy: -13.934
where: short stacking energy: -13.406
Base-Backbone interact. energy: -0.637
local terms energy: -45.766194
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -104.560033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.560033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.560033 (E_RNA)
where:
Base-Base interactions energy: -68.061
where: short stacking energy: -28.195
Base-Backbone interact. energy: 0.366
local terms energy: -36.864894
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -4.861
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -184.439966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.439966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.439966 (E_RNA)
where:
Base-Base interactions energy: -117.898
where: short stacking energy: -51.037
Base-Backbone interact. energy: -0.006
local terms energy: -66.536164
where:
bonds (distance) C4'-P energy: -9.277
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -182.830227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.830227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.830227 (E_RNA)
where:
Base-Base interactions energy: -120.832
where: short stacking energy: -49.064
Base-Backbone interact. energy: -0.410
local terms energy: -61.588611
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -133.885697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.885697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.885697 (E_RNA)
where:
Base-Base interactions energy: -88.210
where: short stacking energy: -27.825
Base-Backbone interact. energy: -0.081
local terms energy: -45.595223
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -8.049
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -4.080
tors. eta vs tors. theta energy: -9.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -170.280873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.280873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.280873 (E_RNA)
where:
Base-Base interactions energy: -117.117
where: short stacking energy: -42.381
Base-Backbone interact. energy: -0.026
local terms energy: -53.137417
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -8.355
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -12.542
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: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -110.651724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.651724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.651724 (E_RNA)
where:
Base-Base interactions energy: -63.193
where: short stacking energy: -27.702
Base-Backbone interact. energy: -0.075
local terms energy: -47.382869
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: -9.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -68.501772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.501772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.501772 (E_RNA)
where:
Base-Base interactions energy: -29.937
where: short stacking energy: -5.698
Base-Backbone interact. energy: -0.087
local terms energy: -38.477777
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -8.010
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -1.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -67.317019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.317019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.317019 (E_RNA)
where:
Base-Base interactions energy: -24.180
where: short stacking energy: -18.829
Base-Backbone interact. energy: -0.125
local terms energy: -43.011723
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -69.699591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.699591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.699591 (E_RNA)
where:
Base-Base interactions energy: -23.334
where: short stacking energy: -15.748
Base-Backbone interact. energy: -0.202
local terms energy: -46.163096
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -5.292
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: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -65.830598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.830598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.830598 (E_RNA)
where:
Base-Base interactions energy: -25.895
where: short stacking energy: -19.502
Base-Backbone interact. energy: 0.055
local terms energy: -39.990981
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -0.008
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: 10, replica: 2
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -63.848551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.848551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.848551 (E_RNA)
where:
Base-Base interactions energy: -25.685
where: short stacking energy: -24.582
Base-Backbone interact. energy: -0.006
local terms energy: -38.157738
where:
bonds (distance) C4'-P energy: -6.949
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -7.745
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -5.529
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: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -182.211703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.211703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.211703 (E_RNA)
where:
Base-Base interactions energy: -117.505
where: short stacking energy: -49.884
Base-Backbone interact. energy: -0.005
local terms energy: -64.701858
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -179.299318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.299318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.299318 (E_RNA)
where:
Base-Base interactions energy: -117.609
where: short stacking energy: -48.646
Base-Backbone interact. energy: -0.000
local terms energy: -61.690090
where:
bonds (distance) C4'-P energy: -8.303
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -9.638
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: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -129.489708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.489708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.489708 (E_RNA)
where:
Base-Base interactions energy: -81.421
where: short stacking energy: -32.354
Base-Backbone interact. energy: -0.081
local terms energy: -47.987715
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -8.070
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -8.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -125.533053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.533053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.533053 (E_RNA)
where:
Base-Base interactions energy: -70.706
where: short stacking energy: -22.765
Base-Backbone interact. energy: 0.865
local terms energy: -55.692440
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -146.387697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.387697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.387697 (E_RNA)
where:
Base-Base interactions energy: -98.224
where: short stacking energy: -26.702
Base-Backbone interact. energy: -0.061
local terms energy: -48.102842
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -9.793
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -70.958161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.958161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.958161 (E_RNA)
where:
Base-Base interactions energy: -31.323
where: short stacking energy: -11.150
Base-Backbone interact. energy: -0.160
local terms energy: -39.475096
where:
bonds (distance) C4'-P energy: -8.079
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -8.386
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -79.416201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.416201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.416201 (E_RNA)
where:
Base-Base interactions energy: -35.009
where: short stacking energy: -28.317
Base-Backbone interact. energy: -0.002
local terms energy: -44.404913
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -8.078
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -9.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -66.300039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.300039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.300039 (E_RNA)
where:
Base-Base interactions energy: -30.999
where: short stacking energy: -12.700
Base-Backbone interact. energy: -0.421
local terms energy: -34.880611
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -9.766
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: 3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -55.167215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.167215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.167215 (E_RNA)
where:
Base-Base interactions energy: -13.737
where: short stacking energy: -10.817
Base-Backbone interact. energy: -0.467
local terms energy: -40.962948
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -8.245
flat angles P-C4'-P energy: -4.914
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -58.270327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.270327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.270327 (E_RNA)
where:
Base-Base interactions energy: -15.853
where: short stacking energy: -16.110
Base-Backbone interact. energy: -0.174
local terms energy: -42.243284
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: 0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -177.861539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.861539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.861539 (E_RNA)
where:
Base-Base interactions energy: -111.492
where: short stacking energy: -43.454
Base-Backbone interact. energy: -0.133
local terms energy: -66.236922
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -15.650
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: 16
Temperature: 0.950000
Total energy: -176.292001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.292001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.292001 (E_RNA)
where:
Base-Base interactions energy: -116.521
where: short stacking energy: -42.762
Base-Backbone interact. energy: -0.003
local terms energy: -59.767242
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -17.572
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: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -157.842975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.842975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.842975 (E_RNA)
where:
Base-Base interactions energy: -103.568
where: short stacking energy: -35.935
Base-Backbone interact. energy: -0.117
local terms energy: -54.158547
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -3.062
tors. eta vs tors. theta energy: -12.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -117.487193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.487193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.487193 (E_RNA)
where:
Base-Base interactions energy: -66.785
where: short stacking energy: -28.380
Base-Backbone interact. energy: 0.011
local terms energy: -50.713083
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -7.488
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -7.794
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: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -160.233403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.233403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.233403 (E_RNA)
where:
Base-Base interactions energy: -107.854
where: short stacking energy: -42.457
Base-Backbone interact. energy: 0.645
local terms energy: -53.024534
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -10.050
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -78.725910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.725910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.725910 (E_RNA)
where:
Base-Base interactions energy: -35.734
where: short stacking energy: -15.398
Base-Backbone interact. energy: -0.001
local terms energy: -42.991153
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -8.063
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: 0.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -75.420967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.420967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.420967 (E_RNA)
where:
Base-Base interactions energy: -36.578
where: short stacking energy: -25.745
Base-Backbone interact. energy: -0.108
local terms energy: -38.735347
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -10.447
flat angles P-C4'-P energy: 0.855
tors. eta vs tors. theta energy: -4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -65.319051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.319051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.319051 (E_RNA)
where:
Base-Base interactions energy: -19.716
where: short stacking energy: -19.716
Base-Backbone interact. energy: -0.031
local terms energy: -45.572326
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -8.940
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -61.197745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.197745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.197745 (E_RNA)
where:
Base-Base interactions energy: -17.194
where: short stacking energy: -17.194
Base-Backbone interact. energy: -0.271
local terms energy: -43.733175
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -3.685
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: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -68.300550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.300550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.300550 (E_RNA)
where:
Base-Base interactions energy: -27.000
where: short stacking energy: -17.097
Base-Backbone interact. energy: 0.953
local terms energy: -42.253917
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -6.621
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: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -183.606440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.606440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.606440 (E_RNA)
where:
Base-Base interactions energy: -119.448
where: short stacking energy: -47.301
Base-Backbone interact. energy: -0.016
local terms energy: -64.142792
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -17.913
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: 7
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -156.927990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.927990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.927990 (E_RNA)
where:
Base-Base interactions energy: -101.728
where: short stacking energy: -39.448
Base-Backbone interact. energy: -0.130
local terms energy: -55.070427
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -174.459351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.459351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.459351 (E_RNA)
where:
Base-Base interactions energy: -119.272
where: short stacking energy: -46.117
Base-Backbone interact. energy: -0.286
local terms energy: -54.901057
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -8.440
flat angles P-C4'-P energy: -4.485
tors. eta vs tors. theta energy: -16.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -169.802161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.802161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.802161 (E_RNA)
where:
Base-Base interactions energy: -109.753
where: short stacking energy: -39.097
Base-Backbone interact. energy: -0.096
local terms energy: -59.953100
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -16.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -104.730969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.730969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.730969 (E_RNA)
where:
Base-Base interactions energy: -60.847
where: short stacking energy: -25.956
Base-Backbone interact. energy: 1.483
local terms energy: -45.366883
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -75.766714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.766714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.766714 (E_RNA)
where:
Base-Base interactions energy: -24.625
where: short stacking energy: -12.883
Base-Backbone interact. energy: -0.394
local terms energy: -50.747828
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -10.679
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: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -76.617740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.617740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.617740 (E_RNA)
where:
Base-Base interactions energy: -35.403
where: short stacking energy: -25.734
Base-Backbone interact. energy: 0.642
local terms energy: -41.856151
where:
bonds (distance) C4'-P energy: -8.904
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -3.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -73.744019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.744019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.744019 (E_RNA)
where:
Base-Base interactions energy: -25.752
where: short stacking energy: -15.802
Base-Backbone interact. energy: -0.342
local terms energy: -47.649426
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -1.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -64.929585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.929585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.929585 (E_RNA)
where:
Base-Base interactions energy: -27.827
where: short stacking energy: -8.611
Base-Backbone interact. energy: -0.041
local terms energy: -37.061715
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -7.428
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -7.042
tors. eta vs tors. theta energy: -0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -57.134179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.134179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.134179 (E_RNA)
where:
Base-Base interactions energy: -14.911
where: short stacking energy: -11.153
Base-Backbone interact. energy: 0.040
local terms energy: -42.262963
where:
bonds (distance) C4'-P energy: -3.493
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -180.028923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.028923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.028923 (E_RNA)
where:
Base-Base interactions energy: -114.437
where: short stacking energy: -42.664
Base-Backbone interact. energy: -0.095
local terms energy: -65.497745
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -175.733360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.733360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.733360 (E_RNA)
where:
Base-Base interactions energy: -109.557
where: short stacking energy: -43.693
Base-Backbone interact. energy: -0.622
local terms energy: -65.554753
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -10.587
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: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -182.205936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.205936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.205936 (E_RNA)
where:
Base-Base interactions energy: -117.348
where: short stacking energy: -46.385
Base-Backbone interact. energy: 0.345
local terms energy: -65.203392
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -16.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -171.424482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.424482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.424482 (E_RNA)
where:
Base-Base interactions energy: -113.315
where: short stacking energy: -47.044
Base-Backbone interact. energy: -0.713
local terms energy: -57.396904
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -12.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -116.388734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.388734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.388734 (E_RNA)
where:
Base-Base interactions energy: -71.198
where: short stacking energy: -29.530
Base-Backbone interact. energy: -0.193
local terms energy: -44.997490
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -8.764
flat angles C4'-P-C4' energy: -7.460
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -93.258255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.258255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.258255 (E_RNA)
where:
Base-Base interactions energy: -51.894
where: short stacking energy: -16.985
Base-Backbone interact. energy: -0.319
local terms energy: -41.045817
where:
bonds (distance) C4'-P energy: -10.039
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -4.854
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: 7, replica: 2
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -66.657400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.657400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.657400 (E_RNA)
where:
Base-Base interactions energy: -29.914
where: short stacking energy: -13.932
Base-Backbone interact. energy: -0.005
local terms energy: -36.737797
where:
bonds (distance) C4'-P energy: -7.762
bonds (distance) P-C4' energy: -10.962
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -8.103
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: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -67.711187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.711187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.711187 (E_RNA)
where:
Base-Base interactions energy: -26.244
where: short stacking energy: -25.364
Base-Backbone interact. energy: -0.103
local terms energy: -41.364265
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -3.455
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -64.732488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.732488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.732488 (E_RNA)
where:
Base-Base interactions energy: -22.108
where: short stacking energy: -21.847
Base-Backbone interact. energy: 0.891
local terms energy: -43.515652
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -7.657
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -59.705502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.705502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.705502 (E_RNA)
where:
Base-Base interactions energy: -23.932
where: short stacking energy: -9.493
Base-Backbone interact. energy: -1.570
local terms energy: -34.203108
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -4.899
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: 0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -181.812205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.812205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.812205 (E_RNA)
where:
Base-Base interactions energy: -120.051
where: short stacking energy: -49.581
Base-Backbone interact. energy: -0.000
local terms energy: -61.760417
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -177.356330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.356330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.356330 (E_RNA)
where:
Base-Base interactions energy: -118.238
where: short stacking energy: -48.369
Base-Backbone interact. energy: -0.000
local terms energy: -59.117805
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -12.008
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -7.903
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: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -176.711747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.711747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.711747 (E_RNA)
where:
Base-Base interactions energy: -116.350
where: short stacking energy: -42.698
Base-Backbone interact. energy: 1.809
local terms energy: -62.171152
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -9.566
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: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -173.947877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.947877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.947877 (E_RNA)
where:
Base-Base interactions energy: -108.703
where: short stacking energy: -39.907
Base-Backbone interact. energy: -0.280
local terms energy: -64.965072
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -9.026
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: 5, replica: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -115.735021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.735021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.735021 (E_RNA)
where:
Base-Base interactions energy: -63.766
where: short stacking energy: -28.985
Base-Backbone interact. energy: -0.023
local terms energy: -51.946206
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -9.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -71.201176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.201176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.201176 (E_RNA)
where:
Base-Base interactions energy: -23.217
where: short stacking energy: -23.217
Base-Backbone interact. energy: -0.107
local terms energy: -47.876850
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -8.625
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -83.792870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.792870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.792870 (E_RNA)
where:
Base-Base interactions energy: -42.272
where: short stacking energy: -17.192
Base-Backbone interact. energy: -0.238
local terms energy: -41.283327
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -9.309
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -5.591
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: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -68.808446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.808446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.808446 (E_RNA)
where:
Base-Base interactions energy: -20.129
where: short stacking energy: -17.547
Base-Backbone interact. energy: -0.103
local terms energy: -48.576422
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -12.473
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -62.432706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.432706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.432706 (E_RNA)
where:
Base-Base interactions energy: -19.276
where: short stacking energy: -16.234
Base-Backbone interact. energy: -0.245
local terms energy: -42.911455
where:
bonds (distance) C4'-P energy: -7.353
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -8.953
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: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -65.335672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.335672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.335672 (E_RNA)
where:
Base-Base interactions energy: -27.450
where: short stacking energy: -14.262
Base-Backbone interact. energy: -0.617
local terms energy: -37.268211
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -10.159
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: 0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -184.075684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.075684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.075684 (E_RNA)
where:
Base-Base interactions energy: -119.496
where: short stacking energy: -46.532
Base-Backbone interact. energy: -0.026
local terms energy: -64.553567
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -8.615
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: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -178.424192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.424192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.424192 (E_RNA)
where:
Base-Base interactions energy: -116.707
where: short stacking energy: -46.983
Base-Backbone interact. energy: 0.062
local terms energy: -61.779592
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -18.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -177.905852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.905852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.905852 (E_RNA)
where:
Base-Base interactions energy: -117.366
where: short stacking energy: -36.280
Base-Backbone interact. energy: -0.039
local terms energy: -60.500916
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -8.435
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: 7
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -171.983158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.983158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.983158 (E_RNA)
where:
Base-Base interactions energy: -114.755
where: short stacking energy: -50.406
Base-Backbone interact. energy: -0.076
local terms energy: -57.151695
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -131.213699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.213699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.213699 (E_RNA)
where:
Base-Base interactions energy: -78.695
where: short stacking energy: -30.741
Base-Backbone interact. energy: -1.200
local terms energy: -51.318322
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -72.667931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.667931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.667931 (E_RNA)
where:
Base-Base interactions energy: -22.272
where: short stacking energy: -22.272
Base-Backbone interact. energy: -0.072
local terms energy: -50.323250
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -3.807
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: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -77.738617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.738617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.738617 (E_RNA)
where:
Base-Base interactions energy: -30.322
where: short stacking energy: -18.731
Base-Backbone interact. energy: -0.120
local terms energy: -47.296224
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -1.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -79.903190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.903190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.903190 (E_RNA)
where:
Base-Base interactions energy: -44.516
where: short stacking energy: -17.882
Base-Backbone interact. energy: -0.268
local terms energy: -35.119414
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -4.048
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: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -70.900512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.900512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.900512 (E_RNA)
where:
Base-Base interactions energy: -32.908
where: short stacking energy: -12.341
Base-Backbone interact. energy: -0.559
local terms energy: -37.433513
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -6.262
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -54.372862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.372862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.372862 (E_RNA)
where:
Base-Base interactions energy: -17.773
where: short stacking energy: -17.773
Base-Backbone interact. energy: -0.089
local terms energy: -36.510430
where:
bonds (distance) C4'-P energy: -9.074
bonds (distance) P-C4' energy: -8.495
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -5.009
tors. eta vs tors. theta energy: -2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -181.384290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.384290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.384290 (E_RNA)
where:
Base-Base interactions energy: -114.925
where: short stacking energy: -43.376
Base-Backbone interact. energy: 0.087
local terms energy: -66.546488
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -16.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -174.024659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.024659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.024659 (E_RNA)
where:
Base-Base interactions energy: -115.051
where: short stacking energy: -45.626
Base-Backbone interact. energy: -0.005
local terms energy: -58.969139
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -6.818
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: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -174.091375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.091375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.091375 (E_RNA)
where:
Base-Base interactions energy: -112.739
where: short stacking energy: -42.748
Base-Backbone interact. energy: -0.198
local terms energy: -61.154018
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -8.695
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: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -174.880047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.880047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.880047 (E_RNA)
where:
Base-Base interactions energy: -113.856
where: short stacking energy: -45.358
Base-Backbone interact. energy: -0.107
local terms energy: -60.916998
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -15.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -143.476686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.476686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.476686 (E_RNA)
where:
Base-Base interactions energy: -99.166
where: short stacking energy: -37.225
Base-Backbone interact. energy: -1.333
local terms energy: -42.978074
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -3.587
flat angles C4'-P-C4' energy: -5.494
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -14.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -88.727062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.727062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.727062 (E_RNA)
where:
Base-Base interactions energy: -39.672
where: short stacking energy: -14.855
Base-Backbone interact. energy: -0.005
local terms energy: -49.050294
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -7.403
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: 7, replica: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -74.785027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.785027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.785027 (E_RNA)
where:
Base-Base interactions energy: -44.775
where: short stacking energy: -18.697
Base-Backbone interact. energy: -0.007
local terms energy: -30.003101
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -4.914
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: 0.467
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: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -77.259170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.259170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.259170 (E_RNA)
where:
Base-Base interactions energy: -36.922
where: short stacking energy: -21.669
Base-Backbone interact. energy: -0.031
local terms energy: -40.305744
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -9.483
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -9.104
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: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -61.620596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.620596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.620596 (E_RNA)
where:
Base-Base interactions energy: -26.713
where: short stacking energy: -17.822
Base-Backbone interact. energy: -0.095
local terms energy: -34.812328
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -1.759
tors. eta vs tors. theta energy: 1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -57.730414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.730414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.730414 (E_RNA)
where:
Base-Base interactions energy: -18.737
where: short stacking energy: -10.839
Base-Backbone interact. energy: 0.294
local terms energy: -39.286809
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -7.722
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: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -176.062257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.062257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.062257 (E_RNA)
where:
Base-Base interactions energy: -116.964
where: short stacking energy: -43.645
Base-Backbone interact. energy: -0.003
local terms energy: -59.095461
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -6.597
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: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -177.267015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.267015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.267015 (E_RNA)
where:
Base-Base interactions energy: -117.297
where: short stacking energy: -45.356
Base-Backbone interact. energy: -0.142
local terms energy: -59.827815
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -12.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -176.508128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.508128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.508128 (E_RNA)
where:
Base-Base interactions energy: -114.103
where: short stacking energy: -48.775
Base-Backbone interact. energy: -0.143
local terms energy: -62.261679
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -16.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -178.683361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.683361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.683361 (E_RNA)
where:
Base-Base interactions energy: -118.525
where: short stacking energy: -49.775
Base-Backbone interact. energy: -0.014
local terms energy: -60.144592
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -9.322
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -161.973359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.973359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.973359 (E_RNA)
where:
Base-Base interactions energy: -104.814
where: short stacking energy: -37.004
Base-Backbone interact. energy: -0.008
local terms energy: -57.151523
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -99.252621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.252621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.252621 (E_RNA)
where:
Base-Base interactions energy: -61.670
where: short stacking energy: -13.287
Base-Backbone interact. energy: -0.877
local terms energy: -36.705332
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: 0.220
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: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -67.444079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.444079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.444079 (E_RNA)
where:
Base-Base interactions energy: -23.242
where: short stacking energy: -23.242
Base-Backbone interact. energy: 1.560
local terms energy: -45.761942
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -9.450
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: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -58.771255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.771255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.771255 (E_RNA)
where:
Base-Base interactions energy: -15.155
where: short stacking energy: -15.155
Base-Backbone interact. energy: -0.135
local terms energy: -43.481285
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: -3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -65.184758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.184758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.184758 (E_RNA)
where:
Base-Base interactions energy: -22.869
where: short stacking energy: -20.286
Base-Backbone interact. energy: -0.239
local terms energy: -42.076992
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -8.844
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -60.384510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.384510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.384510 (E_RNA)
where:
Base-Base interactions energy: -29.416
where: short stacking energy: -18.962
Base-Backbone interact. energy: 0.376
local terms energy: -31.344682
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -8.262
flat angles C4'-P-C4' energy: -5.308
flat angles P-C4'-P energy: -5.472
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: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -175.118383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.118383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.118383 (E_RNA)
where:
Base-Base interactions energy: -115.189
where: short stacking energy: -42.648
Base-Backbone interact. energy: -0.015
local terms energy: -59.914545
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -9.924
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -9.359
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: 2, replica: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -179.313775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.313775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.313775 (E_RNA)
where:
Base-Base interactions energy: -115.338
where: short stacking energy: -47.600
Base-Backbone interact. energy: -0.549
local terms energy: -63.426954
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -173.454914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.454914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.454914 (E_RNA)
where:
Base-Base interactions energy: -118.196
where: short stacking energy: -44.920
Base-Backbone interact. energy: -0.306
local terms energy: -54.953067
where:
bonds (distance) C4'-P energy: -6.259
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -9.769
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: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -166.153900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.153900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.153900 (E_RNA)
where:
Base-Base interactions energy: -101.138
where: short stacking energy: -34.687
Base-Backbone interact. energy: -0.740
local terms energy: -64.275990
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -169.293778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.293778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.293778 (E_RNA)
where:
Base-Base interactions energy: -106.630
where: short stacking energy: -43.078
Base-Backbone interact. energy: 0.468
local terms energy: -63.132276
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -96.330204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.330204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.330204 (E_RNA)
where:
Base-Base interactions energy: -55.765
where: short stacking energy: -20.565
Base-Backbone interact. energy: -0.503
local terms energy: -40.063123
where:
bonds (distance) C4'-P energy: -8.863
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -3.041
tors. eta vs tors. theta energy: -1.769
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: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -84.147060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.147060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.147060 (E_RNA)
where:
Base-Base interactions energy: -38.292
where: short stacking energy: -12.968
Base-Backbone interact. energy: -0.909
local terms energy: -44.945676
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -10.119
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: 8, replica: 2
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -63.830836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.830836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.830836 (E_RNA)
where:
Base-Base interactions energy: -28.840
where: short stacking energy: -21.712
Base-Backbone interact. energy: -0.006
local terms energy: -34.985567
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -8.169
flat angles P-C4'-P energy: -2.646
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -67.957181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.957181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.957181 (E_RNA)
where:
Base-Base interactions energy: -25.248
where: short stacking energy: -14.941
Base-Backbone interact. energy: -0.174
local terms energy: -42.534557
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: 0.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -58.785323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.785323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.785323 (E_RNA)
where:
Base-Base interactions energy: -28.703
where: short stacking energy: -15.464
Base-Backbone interact. energy: -0.124
local terms energy: -29.958471
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -6.995
flat angles C4'-P-C4' energy: -7.022
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: 0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -179.446618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.446618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.446618 (E_RNA)
where:
Base-Base interactions energy: -122.023
where: short stacking energy: -46.389
Base-Backbone interact. energy: -0.004
local terms energy: -57.419282
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -6.294
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: 2, replica: 7
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -181.655900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.655900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.655900 (E_RNA)
where:
Base-Base interactions energy: -119.721
where: short stacking energy: -40.161
Base-Backbone interact. energy: -0.058
local terms energy: -61.877017
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -177.345817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.345817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.345817 (E_RNA)
where:
Base-Base interactions energy: -118.131
where: short stacking energy: -42.791
Base-Backbone interact. energy: -0.064
local terms energy: -59.150444
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -5.471
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: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -172.040401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.040401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.040401 (E_RNA)
where:
Base-Base interactions energy: -105.976
where: short stacking energy: -43.144
Base-Backbone interact. energy: -0.000
local terms energy: -66.063919
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -163.804993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.804993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.804993 (E_RNA)
where:
Base-Base interactions energy: -105.693
where: short stacking energy: -39.048
Base-Backbone interact. energy: -0.011
local terms energy: -58.100944
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -8.169
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: 6, replica: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -121.913194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.913194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.913194 (E_RNA)
where:
Base-Base interactions energy: -66.498
where: short stacking energy: -35.714
Base-Backbone interact. energy: -0.638
local terms energy: -54.776820
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -7.544
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: 2
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -66.355281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.355281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.355281 (E_RNA)
where:
Base-Base interactions energy: -34.093
where: short stacking energy: -7.777
Base-Backbone interact. energy: -0.390
local terms energy: -31.872760
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -4.074
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: 7.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -91.145047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.145047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.145047 (E_RNA)
where:
Base-Base interactions energy: -52.019
where: short stacking energy: -9.530
Base-Backbone interact. energy: -0.110
local terms energy: -39.016270
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -8.925
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: 0.885
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: 24
Temperature: 1.300000
Total energy: -63.614193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.614193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.614193 (E_RNA)
where:
Base-Base interactions energy: -24.242
where: short stacking energy: -13.206
Base-Backbone interact. energy: -0.024
local terms energy: -39.348315
where:
bonds (distance) C4'-P energy: -8.250
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -6.245
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -0.058
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: 4
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -53.674354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.674354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.674354 (E_RNA)
where:
Base-Base interactions energy: -19.520
where: short stacking energy: -19.520
Base-Backbone interact. energy: -0.386
local terms energy: -33.768879
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -4.850
flat angles P-C4'-P energy: -5.129
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: 1, replica: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -177.386802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.386802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.386802 (E_RNA)
where:
Base-Base interactions energy: -115.196
where: short stacking energy: -53.730
Base-Backbone interact. energy: -0.004
local terms energy: -62.187103
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -10.705
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: 2, replica: 9
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -180.550953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.550953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.550953 (E_RNA)
where:
Base-Base interactions energy: -121.260
where: short stacking energy: -48.122
Base-Backbone interact. energy: -0.019
local terms energy: -59.271944
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -6.163
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: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -176.111206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.111206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.111206 (E_RNA)
where:
Base-Base interactions energy: -113.174
where: short stacking energy: -43.546
Base-Backbone interact. energy: -0.001
local terms energy: -62.936161
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -17.341
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: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -160.810364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.810364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.810364 (E_RNA)
where:
Base-Base interactions energy: -112.580
where: short stacking energy: -42.804
Base-Backbone interact. energy: -0.043
local terms energy: -48.187152
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -6.982
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -4.558
tors. eta vs tors. theta energy: -13.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -142.551702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.551702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.551702 (E_RNA)
where:
Base-Base interactions energy: -96.127
where: short stacking energy: -31.470
Base-Backbone interact. energy: -0.685
local terms energy: -45.739845
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -8.957
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -9.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -121.413335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.413335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.413335 (E_RNA)
where:
Base-Base interactions energy: -76.663
where: short stacking energy: -23.364
Base-Backbone interact. energy: -1.126
local terms energy: -43.624835
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -4.364
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -82.055169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.055169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.055169 (E_RNA)
where:
Base-Base interactions energy: -34.851
where: short stacking energy: -19.426
Base-Backbone interact. energy: 0.675
local terms energy: -47.879013
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -8.680
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: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -78.627285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.627285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.627285 (E_RNA)
where:
Base-Base interactions energy: -38.150
where: short stacking energy: -27.471
Base-Backbone interact. energy: -0.120
local terms energy: -40.357020
where:
bonds (distance) C4'-P energy: -8.762
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -9.009
flat angles P-C4'-P energy: -5.532
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -64.240047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.240047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.240047 (E_RNA)
where:
Base-Base interactions energy: -17.918
where: short stacking energy: -10.863
Base-Backbone interact. energy: -0.027
local terms energy: -46.295326
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -0.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -57.260173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.260173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.260173 (E_RNA)
where:
Base-Base interactions energy: -27.511
where: short stacking energy: -22.688
Base-Backbone interact. energy: -0.156
local terms energy: -29.593818
where:
bonds (distance) C4'-P energy: -4.776
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -4.940
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: 0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -180.962006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.962006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.962006 (E_RNA)
where:
Base-Base interactions energy: -121.007
where: short stacking energy: -45.976
Base-Backbone interact. energy: -0.066
local terms energy: -59.889432
where:
bonds (distance) C4'-P energy: -9.200
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -17.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -180.894777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.894777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.894777 (E_RNA)
where:
Base-Base interactions energy: -121.270
where: short stacking energy: -48.599
Base-Backbone interact. energy: 1.059
local terms energy: -60.683507
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -8.800
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -15.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -174.320668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.320668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.320668 (E_RNA)
where:
Base-Base interactions energy: -117.223
where: short stacking energy: -41.509
Base-Backbone interact. energy: -0.007
local terms energy: -57.090581
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -14.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -142.050175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.050175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.050175 (E_RNA)
where:
Base-Base interactions energy: -90.387
where: short stacking energy: -39.356
Base-Backbone interact. energy: 0.399
local terms energy: -52.062793
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -3.990
tors. eta vs tors. theta energy: -12.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -152.849555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.849555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.849555 (E_RNA)
where:
Base-Base interactions energy: -94.110
where: short stacking energy: -31.953
Base-Backbone interact. energy: -0.002
local terms energy: -58.737418
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -12.468
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: 6
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -87.482507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.482507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.482507 (E_RNA)
where:
Base-Base interactions energy: -45.130
where: short stacking energy: -18.819
Base-Backbone interact. energy: -0.145
local terms energy: -42.207735
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -108.206613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.206613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.206613 (E_RNA)
where:
Base-Base interactions energy: -60.759
where: short stacking energy: -33.556
Base-Backbone interact. energy: -0.046
local terms energy: -47.401664
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -8.663
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -9.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -67.010952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.010952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.010952 (E_RNA)
where:
Base-Base interactions energy: -25.323
where: short stacking energy: -11.435
Base-Backbone interact. energy: -0.121
local terms energy: -41.566802
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -7.236
flat angles P-C4'-P energy: -8.405
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: 9, replica: 4
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -60.930835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.930835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.930835 (E_RNA)
where:
Base-Base interactions energy: -26.856
where: short stacking energy: -16.055
Base-Backbone interact. energy: -0.320
local terms energy: -33.754365
where:
bonds (distance) C4'-P energy: -8.445
bonds (distance) P-C4' energy: -5.795
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -5.182
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: 26
Temperature: 1.350000
Total energy: -64.873420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.873420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.873420 (E_RNA)
where:
Base-Base interactions energy: -28.121
where: short stacking energy: -19.394
Base-Backbone interact. energy: 0.350
local terms energy: -37.102577
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -4.316
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -179.333261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.333261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.333261 (E_RNA)
where:
Base-Base interactions energy: -115.421
where: short stacking energy: -44.824
Base-Backbone interact. energy: -0.000
local terms energy: -63.912149
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -180.501925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.501925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.501925 (E_RNA)
where:
Base-Base interactions energy: -116.999
where: short stacking energy: -48.384
Base-Backbone interact. energy: -0.000
local terms energy: -63.501962
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -176.243272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.243272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.243272 (E_RNA)
where:
Base-Base interactions energy: -115.446
where: short stacking energy: -47.095
Base-Backbone interact. energy: -0.166
local terms energy: -60.632129
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -11.319
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -17.293
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: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -171.746607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.746607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.746607 (E_RNA)
where:
Base-Base interactions energy: -110.549
where: short stacking energy: -40.338
Base-Backbone interact. energy: -0.094
local terms energy: -61.103355
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -15.923
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: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -136.447978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.447978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.447978 (E_RNA)
where:
Base-Base interactions energy: -83.991
where: short stacking energy: -34.021
Base-Backbone interact. energy: -0.379
local terms energy: -52.078446
where:
bonds (distance) C4'-P energy: -10.176
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -8.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -89.711054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.711054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.711054 (E_RNA)
where:
Base-Base interactions energy: -44.701
where: short stacking energy: -17.648
Base-Backbone interact. energy: -0.166
local terms energy: -44.844660
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -2.748
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: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -93.044581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.044581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.044581 (E_RNA)
where:
Base-Base interactions energy: -53.452
where: short stacking energy: -27.501
Base-Backbone interact. energy: -0.120
local terms energy: -39.472452
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -8.858
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -68.847294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.847294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.847294 (E_RNA)
where:
Base-Base interactions energy: -32.425
where: short stacking energy: -17.873
Base-Backbone interact. energy: 0.636
local terms energy: -37.058235
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -10.570
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: 0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -66.009533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.009533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.009533 (E_RNA)
where:
Base-Base interactions energy: -24.090
where: short stacking energy: -14.640
Base-Backbone interact. energy: -0.148
local terms energy: -41.772332
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -5.050
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: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -56.430371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.430371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.430371 (E_RNA)
where:
Base-Base interactions energy: -14.138
where: short stacking energy: -14.138
Base-Backbone interact. energy: 0.259
local terms energy: -42.552130
where:
bonds (distance) C4'-P energy: -9.678
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -9.332
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -180.256942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.256942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.256942 (E_RNA)
where:
Base-Base interactions energy: -116.529
where: short stacking energy: -48.622
Base-Backbone interact. energy: -0.000
local terms energy: -63.727664
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -10.011
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -180.116211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.116211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.116211 (E_RNA)
where:
Base-Base interactions energy: -117.279
where: short stacking energy: -44.988
Base-Backbone interact. energy: -0.020
local terms energy: -62.817625
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -16.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -175.843942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.843942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.843942 (E_RNA)
where:
Base-Base interactions energy: -111.041
where: short stacking energy: -43.877
Base-Backbone interact. energy: 0.804
local terms energy: -65.607500
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -173.644766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.644766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.644766 (E_RNA)
where:
Base-Base interactions energy: -110.089
where: short stacking energy: -48.997
Base-Backbone interact. energy: -0.453
local terms energy: -63.103181
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -16.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -158.599188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.599188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.599188 (E_RNA)
where:
Base-Base interactions energy: -104.500
where: short stacking energy: -38.175
Base-Backbone interact. energy: -0.053
local terms energy: -54.046664
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -8.456
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -104.360254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.360254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.360254 (E_RNA)
where:
Base-Base interactions energy: -58.487
where: short stacking energy: -17.692
Base-Backbone interact. energy: -0.100
local terms energy: -45.773269
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -7.447
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: 7, replica: 4
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -77.114071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.114071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.114071 (E_RNA)
where:
Base-Base interactions energy: -37.300
where: short stacking energy: -20.748
Base-Backbone interact. energy: -0.216
local terms energy: -39.598120
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -3.997
tors. eta vs tors. theta energy: -0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -97.153153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.153153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.153153 (E_RNA)
where:
Base-Base interactions energy: -51.803
where: short stacking energy: -31.258
Base-Backbone interact. energy: -0.774
local terms energy: -44.576390
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -8.947
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -74.743355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.743355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.743355 (E_RNA)
where:
Base-Base interactions energy: -37.577
where: short stacking energy: -14.634
Base-Backbone interact. energy: -0.249
local terms energy: -36.917672
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -8.431
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: 3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -56.460262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.460262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.460262 (E_RNA)
where:
Base-Base interactions energy: -13.737
where: short stacking energy: -9.386
Base-Backbone interact. energy: -0.085
local terms energy: -42.638353
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -9.119
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: 2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -178.637657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.637657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.637657 (E_RNA)
where:
Base-Base interactions energy: -114.744
where: short stacking energy: -43.670
Base-Backbone interact. energy: -0.994
local terms energy: -62.900084
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -10.773
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: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -178.152629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.152629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.152629 (E_RNA)
where:
Base-Base interactions energy: -115.321
where: short stacking energy: -49.668
Base-Backbone interact. energy: -0.009
local terms energy: -62.822646
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -15.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -175.376583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.376583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.376583 (E_RNA)
where:
Base-Base interactions energy: -111.798
where: short stacking energy: -45.895
Base-Backbone interact. energy: -0.439
local terms energy: -63.139102
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -5.964
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: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -172.078501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.078501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.078501 (E_RNA)
where:
Base-Base interactions energy: -113.211
where: short stacking energy: -42.816
Base-Backbone interact. energy: -0.014
local terms energy: -58.853217
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -12.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -173.733255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.733255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.733255 (E_RNA)
where:
Base-Base interactions energy: -118.287
where: short stacking energy: -42.479
Base-Backbone interact. energy: -1.194
local terms energy: -54.252185
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -13.671
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: 6, replica: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -78.221118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.221118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.221118 (E_RNA)
where:
Base-Base interactions energy: -35.375
where: short stacking energy: -17.905
Base-Backbone interact. energy: 0.806
local terms energy: -43.652800
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -9.168
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: 7, replica: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -89.224791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.224791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.224791 (E_RNA)
where:
Base-Base interactions energy: -45.543
where: short stacking energy: -20.986
Base-Backbone interact. energy: -0.102
local terms energy: -43.579956
where:
bonds (distance) C4'-P energy: -8.651
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -6.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -71.927124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.927124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.927124 (E_RNA)
where:
Base-Base interactions energy: -15.727
where: short stacking energy: -15.727
Base-Backbone interact. energy: -0.086
local terms energy: -56.114297
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -64.642371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.642371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.642371 (E_RNA)
where:
Base-Base interactions energy: -22.972
where: short stacking energy: -13.111
Base-Backbone interact. energy: -0.474
local terms energy: -41.195753
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -8.886
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -7.717
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: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -55.433886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.433886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.433886 (E_RNA)
where:
Base-Base interactions energy: -17.388
where: short stacking energy: -17.388
Base-Backbone interact. energy: -0.007
local terms energy: -38.039255
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -11.378
flat angles C4'-P-C4' energy: -6.373
flat angles P-C4'-P energy: -5.705
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: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -184.893108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.893108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.893108 (E_RNA)
where:
Base-Base interactions energy: -120.288
where: short stacking energy: -51.027
Base-Backbone interact. energy: -0.006
local terms energy: -64.599669
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -8.498
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: 2, replica: 7
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -176.639910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.639910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.639910 (E_RNA)
where:
Base-Base interactions energy: -120.153
where: short stacking energy: -48.563
Base-Backbone interact. energy: -0.183
local terms energy: -56.303607
where:
bonds (distance) C4'-P energy: -7.644
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -175.047840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.047840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.047840 (E_RNA)
where:
Base-Base interactions energy: -114.704
where: short stacking energy: -44.474
Base-Backbone interact. energy: -0.001
local terms energy: -60.342142
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -14.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -163.918230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.918230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.918230 (E_RNA)
where:
Base-Base interactions energy: -109.243
where: short stacking energy: -40.050
Base-Backbone interact. energy: -0.203
local terms energy: -54.472491
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -13.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -166.178645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.178645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.178645 (E_RNA)
where:
Base-Base interactions energy: -109.457
where: short stacking energy: -46.648
Base-Backbone interact. energy: -0.326
local terms energy: -56.395787
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -9.976
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -8.026
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: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -75.483808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.483808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.483808 (E_RNA)
where:
Base-Base interactions energy: -37.263
where: short stacking energy: -12.368
Base-Backbone interact. energy: 1.802
local terms energy: -40.023000
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -5.787
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: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -60.313305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.313305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.313305 (E_RNA)
where:
Base-Base interactions energy: -25.156
where: short stacking energy: -18.209
Base-Backbone interact. energy: -0.306
local terms energy: -34.850686
where:
bonds (distance) C4'-P energy: -8.254
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -8.414
flat angles P-C4'-P energy: -6.913
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: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -66.435413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.435413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.435413 (E_RNA)
where:
Base-Base interactions energy: -30.428
where: short stacking energy: -17.430
Base-Backbone interact. energy: -0.144
local terms energy: -35.863814
where:
bonds (distance) C4'-P energy: -5.401
bonds (distance) P-C4' energy: -9.368
flat angles C4'-P-C4' energy: -9.307
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -58.738475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.738475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.738475 (E_RNA)
where:
Base-Base interactions energy: -25.967
where: short stacking energy: -13.502
Base-Backbone interact. energy: -0.212
local terms energy: -32.559250
where:
bonds (distance) C4'-P energy: -5.821
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -9.219
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -1.141
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: 10, replica: 2
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -52.388393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.388393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.388393 (E_RNA)
where:
Base-Base interactions energy: -11.400
where: short stacking energy: -11.055
Base-Backbone interact. energy: -0.303
local terms energy: -40.685354
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -6.896
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: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -182.817323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.817323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.817323 (E_RNA)
where:
Base-Base interactions energy: -115.946
where: short stacking energy: -51.017
Base-Backbone interact. energy: -0.041
local terms energy: -66.829879
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -179.063184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.063184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.063184 (E_RNA)
where:
Base-Base interactions energy: -116.776
where: short stacking energy: -48.206
Base-Backbone interact. energy: -0.130
local terms energy: -62.157550
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -165.887804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.887804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.887804 (E_RNA)
where:
Base-Base interactions energy: -104.409
where: short stacking energy: -42.890
Base-Backbone interact. energy: -0.056
local terms energy: -61.423101
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -8.015
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: 4, replica: 9
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -167.344386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.344386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.344386 (E_RNA)
where:
Base-Base interactions energy: -111.746
where: short stacking energy: -47.855
Base-Backbone interact. energy: -0.000
local terms energy: -55.597545
where:
bonds (distance) C4'-P energy: -8.038
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -6.688
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: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -166.574521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.574521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.574521 (E_RNA)
where:
Base-Base interactions energy: -105.601
where: short stacking energy: -42.815
Base-Backbone interact. energy: -0.090
local terms energy: -60.883586
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -85.919806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.919806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.919806 (E_RNA)
where:
Base-Base interactions energy: -35.612
where: short stacking energy: -14.203
Base-Backbone interact. energy: -0.104
local terms energy: -50.203595
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -10.610
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: 7, replica: 4
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -77.019487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.019487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.019487 (E_RNA)
where:
Base-Base interactions energy: -38.526
where: short stacking energy: -14.480
Base-Backbone interact. energy: -0.217
local terms energy: -38.276977
where:
bonds (distance) C4'-P energy: -8.809
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -10.017
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -68.324123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.324123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.324123 (E_RNA)
where:
Base-Base interactions energy: -33.375
where: short stacking energy: -12.051
Base-Backbone interact. energy: 0.637
local terms energy: -35.586402
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -8.505
flat angles P-C4'-P energy: -3.945
tors. eta vs tors. theta energy: 2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -63.665529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.665529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.665529 (E_RNA)
where:
Base-Base interactions energy: -21.071
where: short stacking energy: -19.910
Base-Backbone interact. energy: 0.693
local terms energy: -43.287736
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -7.471
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -9.026
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: 10, replica: 2
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -69.732126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.732126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.732126 (E_RNA)
where:
Base-Base interactions energy: -28.308
where: short stacking energy: -19.774
Base-Backbone interact. energy: -0.147
local terms energy: -41.276710
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -9.279
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -1.526
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: 32
Temperature: 0.900000
Total energy: -183.620365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.620365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.620365 (E_RNA)
where:
Base-Base interactions energy: -120.023
where: short stacking energy: -52.796
Base-Backbone interact. energy: -0.041
local terms energy: -63.556584
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -16.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -174.629497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.629497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.629497 (E_RNA)
where:
Base-Base interactions energy: -114.062
where: short stacking energy: -43.955
Base-Backbone interact. energy: -1.052
local terms energy: -59.515971
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -175.883338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.883338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.883338 (E_RNA)
where:
Base-Base interactions energy: -113.176
where: short stacking energy: -43.279
Base-Backbone interact. energy: -0.003
local terms energy: -62.704296
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -19.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -168.855637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.855637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.855637 (E_RNA)
where:
Base-Base interactions energy: -105.317
where: short stacking energy: -36.053
Base-Backbone interact. energy: -0.060
local terms energy: -63.478876
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -15.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -150.036988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.036988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.036988 (E_RNA)
where:
Base-Base interactions energy: -92.506
where: short stacking energy: -36.973
Base-Backbone interact. energy: -0.001
local terms energy: -57.529463
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -11.503
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: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -76.892737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.892737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.892737 (E_RNA)
where:
Base-Base interactions energy: -26.188
where: short stacking energy: -21.129
Base-Backbone interact. energy: -0.093
local terms energy: -50.611304
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -73.098086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.098086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.098086 (E_RNA)
where:
Base-Base interactions energy: -36.183
where: short stacking energy: -11.280
Base-Backbone interact. energy: -0.429
local terms energy: -36.485835
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -7.468
flat angles P-C4'-P energy: -6.501
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: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -67.099618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.099618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.099618 (E_RNA)
where:
Base-Base interactions energy: -37.983
where: short stacking energy: -2.173
Base-Backbone interact. energy: -0.233
local terms energy: -28.883819
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -7.975
flat angles P-C4'-P energy: -3.640
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: 2
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -61.280813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.280813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.280813 (E_RNA)
where:
Base-Base interactions energy: -23.220
where: short stacking energy: -12.316
Base-Backbone interact. energy: 0.072
local terms energy: -38.133273
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -4.741
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: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -56.939410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.939410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.939410 (E_RNA)
where:
Base-Base interactions energy: -18.153
where: short stacking energy: -11.920
Base-Backbone interact. energy: -0.354
local terms energy: -38.432361
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -7.632
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: 3.524
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: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -182.225645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.225645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.225645 (E_RNA)
where:
Base-Base interactions energy: -117.843
where: short stacking energy: -53.476
Base-Backbone interact. energy: -0.012
local terms energy: -64.370507
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -178.865502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.865502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.865502 (E_RNA)
where:
Base-Base interactions energy: -117.295
where: short stacking energy: -49.736
Base-Backbone interact. energy: 1.041
local terms energy: -62.611862
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -177.617189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.617189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.617189 (E_RNA)
where:
Base-Base interactions energy: -114.614
where: short stacking energy: -43.226
Base-Backbone interact. energy: -0.002
local terms energy: -63.001308
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -13.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -166.394046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.394046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.394046 (E_RNA)
where:
Base-Base interactions energy: -115.430
where: short stacking energy: -41.024
Base-Backbone interact. energy: -0.087
local terms energy: -50.876706
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -7.390
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: 5, replica: 3
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -158.555975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.555975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.555975 (E_RNA)
where:
Base-Base interactions energy: -98.977
where: short stacking energy: -29.643
Base-Backbone interact. energy: -0.727
local terms energy: -58.852663
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -6.427
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -66.927494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.927494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.927494 (E_RNA)
where:
Base-Base interactions energy: -20.998
where: short stacking energy: -13.649
Base-Backbone interact. energy: -0.274
local terms energy: -45.655943
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -8.943
flat angles P-C4'-P energy: -7.233
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: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -71.268770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.268770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.268770 (E_RNA)
where:
Base-Base interactions energy: -36.487
where: short stacking energy: -16.629
Base-Backbone interact. energy: -0.227
local terms energy: -34.554914
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: 3.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -59.909866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.909866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.909866 (E_RNA)
where:
Base-Base interactions energy: -24.742
where: short stacking energy: -12.004
Base-Backbone interact. energy: -0.072
local terms energy: -35.095661
where:
bonds (distance) C4'-P energy: -5.976
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -3.306
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: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -70.462818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.462818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.462818 (E_RNA)
where:
Base-Base interactions energy: -26.596
where: short stacking energy: -17.084
Base-Backbone interact. energy: -0.557
local terms energy: -43.309568
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -7.298
flat angles P-C4'-P energy: -5.736
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: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -57.329768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.329768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.329768 (E_RNA)
where:
Base-Base interactions energy: -22.080
where: short stacking energy: -11.496
Base-Backbone interact. energy: 0.060
local terms energy: -35.310400
where:
bonds (distance) C4'-P energy: -7.989
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -8.246
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: 3.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -185.057159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.057159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.057159 (E_RNA)
where:
Base-Base interactions energy: -116.070
where: short stacking energy: -52.589
Base-Backbone interact. energy: -0.045
local terms energy: -68.941643
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -18.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -176.077181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.077181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.077181 (E_RNA)
where:
Base-Base interactions energy: -114.771
where: short stacking energy: -48.981
Base-Backbone interact. energy: -0.007
local terms energy: -61.299075
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -15.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -171.108001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.108001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.108001 (E_RNA)
where:
Base-Base interactions energy: -113.784
where: short stacking energy: -43.193
Base-Backbone interact. energy: -0.135
local terms energy: -57.188738
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -10.119
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -7.368
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: 4, replica: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -165.963132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.963132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.963132 (E_RNA)
where:
Base-Base interactions energy: -116.309
where: short stacking energy: -37.245
Base-Backbone interact. energy: -0.163
local terms energy: -49.491063
where:
bonds (distance) C4'-P energy: -5.695
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -161.710356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.710356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.710356 (E_RNA)
where:
Base-Base interactions energy: -110.242
where: short stacking energy: -42.270
Base-Backbone interact. energy: -0.593
local terms energy: -50.874853
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -7.083
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: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -85.381222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.381222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.381222 (E_RNA)
where:
Base-Base interactions energy: -43.272
where: short stacking energy: -18.046
Base-Backbone interact. energy: -0.037
local terms energy: -42.071810
where:
bonds (distance) C4'-P energy: -8.072
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -9.564
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: 2
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -63.599004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.599004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.599004 (E_RNA)
where:
Base-Base interactions energy: -25.727
where: short stacking energy: -15.964
Base-Backbone interact. energy: -0.252
local terms energy: -37.620560
where:
bonds (distance) C4'-P energy: -9.065
bonds (distance) P-C4' energy: -12.435
flat angles C4'-P-C4' energy: -6.605
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -57.713694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.713694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.713694 (E_RNA)
where:
Base-Base interactions energy: -29.043
where: short stacking energy: -15.483
Base-Backbone interact. energy: 0.202
local terms energy: -28.872723
where:
bonds (distance) C4'-P energy: -6.287
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -6.934
flat angles P-C4'-P energy: -0.739
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: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -59.682299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.682299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.682299 (E_RNA)
where:
Base-Base interactions energy: -23.048
where: short stacking energy: -19.396
Base-Backbone interact. energy: -0.762
local terms energy: -35.872607
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -9.131
flat angles P-C4'-P energy: -9.469
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: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -73.509885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.509885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.509885 (E_RNA)
where:
Base-Base interactions energy: -31.989
where: short stacking energy: -9.298
Base-Backbone interact. energy: -0.119
local terms energy: -41.401113
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -6.962
flat angles P-C4'-P energy: -3.876
tors. eta vs tors. theta energy: -5.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -180.137790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.137790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.137790 (E_RNA)
where:
Base-Base interactions energy: -120.430
where: short stacking energy: -45.172
Base-Backbone interact. energy: -0.094
local terms energy: -59.613438
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -10.027
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -177.857091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.857091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.857091 (E_RNA)
where:
Base-Base interactions energy: -113.451
where: short stacking energy: -42.985
Base-Backbone interact. energy: -0.015
local terms energy: -64.391273
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -9.910
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: 3, replica: 5
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -172.916211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.916211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.916211 (E_RNA)
where:
Base-Base interactions energy: -113.813
where: short stacking energy: -44.484
Base-Backbone interact. energy: 1.576
local terms energy: -60.678636
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -14.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -172.279660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.279660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.279660 (E_RNA)
where:
Base-Base interactions energy: -114.102
where: short stacking energy: -44.419
Base-Backbone interact. energy: -0.100
local terms energy: -58.077172
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -8.606
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -170.733756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.733756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.733756 (E_RNA)
where:
Base-Base interactions energy: -111.274
where: short stacking energy: -48.648
Base-Backbone interact. energy: -0.058
local terms energy: -59.401720
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -8.973
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -14.371
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: 35
Temperature: 1.150000
Total energy: -66.644320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.644320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.644320 (E_RNA)
where:
Base-Base interactions energy: -20.764
where: short stacking energy: -18.197
Base-Backbone interact. energy: -0.275
local terms energy: -45.605529
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -6.411
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: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -65.112024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.112024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.112024 (E_RNA)
where:
Base-Base interactions energy: -21.225
where: short stacking energy: -21.225
Base-Backbone interact. energy: -0.147
local terms energy: -43.740587
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -7.047
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -3.947
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: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -67.430600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.430600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.430600 (E_RNA)
where:
Base-Base interactions energy: -22.892
where: short stacking energy: -9.107
Base-Backbone interact. energy: -0.268
local terms energy: -44.270826
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -8.078
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: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -65.065594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.065594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.065594 (E_RNA)
where:
Base-Base interactions energy: -29.041
where: short stacking energy: -19.361
Base-Backbone interact. energy: 1.934
local terms energy: -37.958827
where:
bonds (distance) C4'-P energy: -7.795
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -8.678
flat angles P-C4'-P energy: -4.537
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: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -66.606224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.606224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.606224 (E_RNA)
where:
Base-Base interactions energy: -28.913
where: short stacking energy: -17.835
Base-Backbone interact. energy: 0.328
local terms energy: -38.021240
where:
bonds (distance) C4'-P energy: -7.219
bonds (distance) P-C4' energy: -10.402
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: 0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -184.540208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.540208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.540208 (E_RNA)
where:
Base-Base interactions energy: -115.379
where: short stacking energy: -48.461
Base-Backbone interact. energy: -0.003
local terms energy: -69.158670
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -10.280
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: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -177.091307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.091307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.091307 (E_RNA)
where:
Base-Base interactions energy: -114.746
where: short stacking energy: -47.287
Base-Backbone interact. energy: -0.283
local terms energy: -62.061908
where:
bonds (distance) C4'-P energy: -8.597
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -16.025
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: 36
Temperature: 1.000000
Total energy: -168.127945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.127945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.127945 (E_RNA)
where:
Base-Base interactions energy: -111.662
where: short stacking energy: -43.985
Base-Backbone interact. energy: -0.001
local terms energy: -56.465719
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -5.614
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -174.676383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.676383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.676383 (E_RNA)
where:
Base-Base interactions energy: -108.498
where: short stacking energy: -42.512
Base-Backbone interact. energy: -0.842
local terms energy: -65.336253
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: -11.834
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: 5, replica: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -163.292723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.292723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.292723 (E_RNA)
where:
Base-Base interactions energy: -111.104
where: short stacking energy: -40.469
Base-Backbone interact. energy: 0.133
local terms energy: -52.322204
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -8.843
flat angles P-C4'-P energy: -4.401
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -79.772929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.772929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.772929 (E_RNA)
where:
Base-Base interactions energy: -34.441
where: short stacking energy: -16.240
Base-Backbone interact. energy: -0.174
local terms energy: -45.158242
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -7.724
flat angles P-C4'-P energy: -8.008
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: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -71.103607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.103607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.103607 (E_RNA)
where:
Base-Base interactions energy: -33.344
where: short stacking energy: -16.005
Base-Backbone interact. energy: -0.008
local terms energy: -37.751153
where:
bonds (distance) C4'-P energy: -7.231
bonds (distance) P-C4' energy: -9.070
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -68.868463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.868463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.868463 (E_RNA)
where:
Base-Base interactions energy: -30.626
where: short stacking energy: -13.085
Base-Backbone interact. energy: -0.131
local terms energy: -38.112169
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -6.284
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -2.942
tors. eta vs tors. theta energy: -4.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -62.156066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.156066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.156066 (E_RNA)
where:
Base-Base interactions energy: -26.717
where: short stacking energy: -9.146
Base-Backbone interact. energy: 0.518
local terms energy: -35.956762
where:
bonds (distance) C4'-P energy: -8.656
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -8.605
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -55.069869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.069869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.069869 (E_RNA)
where:
Base-Base interactions energy: -19.248
where: short stacking energy: -15.034
Base-Backbone interact. energy: 0.210
local terms energy: -36.031713
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -10.702
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: 2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -179.846372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.846372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.846372 (E_RNA)
where:
Base-Base interactions energy: -116.775
where: short stacking energy: -44.498
Base-Backbone interact. energy: -0.104
local terms energy: -62.967557
where:
bonds (distance) C4'-P energy: -8.602
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -17.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -183.397621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.397621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.397621 (E_RNA)
where:
Base-Base interactions energy: -119.679
where: short stacking energy: -40.158
Base-Backbone interact. energy: -0.371
local terms energy: -63.347805
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -173.153542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.153542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.153542 (E_RNA)
where:
Base-Base interactions energy: -118.242
where: short stacking energy: -42.399
Base-Backbone interact. energy: -0.009
local terms energy: -54.902645
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -13.260
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: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -168.815048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.815048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.815048 (E_RNA)
where:
Base-Base interactions energy: -110.963
where: short stacking energy: -42.057
Base-Backbone interact. energy: 0.924
local terms energy: -58.775925
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -10.691
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -9.365
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: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -169.036707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.036707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.036707 (E_RNA)
where:
Base-Base interactions energy: -112.053
where: short stacking energy: -44.373
Base-Backbone interact. energy: -0.118
local terms energy: -56.865423
where:
bonds (distance) C4'-P energy: -9.803
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -9.889
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: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -75.908181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.908181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.908181 (E_RNA)
where:
Base-Base interactions energy: -31.888
where: short stacking energy: -17.964
Base-Backbone interact. energy: 0.823
local terms energy: -44.842855
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: 0.609
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: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -72.111344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.111344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.111344 (E_RNA)
where:
Base-Base interactions energy: -35.508
where: short stacking energy: -14.216
Base-Backbone interact. energy: -0.447
local terms energy: -36.156306
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -5.452
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: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -60.341767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.341767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.341767 (E_RNA)
where:
Base-Base interactions energy: -18.655
where: short stacking energy: -12.442
Base-Backbone interact. energy: -0.797
local terms energy: -40.889903
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -9.310
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -6.032
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: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -63.751287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.751287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.751287 (E_RNA)
where:
Base-Base interactions energy: -23.317
where: short stacking energy: -14.155
Base-Backbone interact. energy: -0.018
local terms energy: -40.416193
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -8.330
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -8.578
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: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -55.338301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.338301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.338301 (E_RNA)
where:
Base-Base interactions energy: -21.022
where: short stacking energy: -9.313
Base-Backbone interact. energy: -0.034
local terms energy: -34.281939
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -2.605
tors. eta vs tors. theta energy: 0.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -182.457587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.457587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.457587 (E_RNA)
where:
Base-Base interactions energy: -119.178
where: short stacking energy: -40.577
Base-Backbone interact. energy: -1.033
local terms energy: -62.246102
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -14.361
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: 9
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -178.450560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.450560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.450560 (E_RNA)
where:
Base-Base interactions energy: -115.008
where: short stacking energy: -46.502
Base-Backbone interact. energy: -0.006
local terms energy: -63.435683
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -179.227125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.227125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.227125 (E_RNA)
where:
Base-Base interactions energy: -115.334
where: short stacking energy: -41.017
Base-Backbone interact. energy: -0.326
local terms energy: -63.566166
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -15.210
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: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -178.043509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.043509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.043509 (E_RNA)
where:
Base-Base interactions energy: -117.569
where: short stacking energy: -47.554
Base-Backbone interact. energy: -0.002
local terms energy: -60.472940
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -9.614
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: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -163.031839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.031839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.031839 (E_RNA)
where:
Base-Base interactions energy: -110.585
where: short stacking energy: -39.533
Base-Backbone interact. energy: -0.135
local terms energy: -52.311812
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -8.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -71.928519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.928519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.928519 (E_RNA)
where:
Base-Base interactions energy: -27.268
where: short stacking energy: -19.763
Base-Backbone interact. energy: -0.007
local terms energy: -44.652763
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -4.096
tors. eta vs tors. theta energy: -3.746
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: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -72.603032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.603032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.603032 (E_RNA)
where:
Base-Base interactions energy: -31.715
where: short stacking energy: -10.173
Base-Backbone interact. energy: 0.957
local terms energy: -41.845571
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -9.474
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -7.842
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: 8, replica: 2
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -65.697385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.697385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.697385 (E_RNA)
where:
Base-Base interactions energy: -24.850
where: short stacking energy: -12.493
Base-Backbone interact. energy: -0.243
local terms energy: -40.604524
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -55.598877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.598877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.598877 (E_RNA)
where:
Base-Base interactions energy: -12.433
where: short stacking energy: -12.433
Base-Backbone interact. energy: -0.013
local terms energy: -43.153297
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -9.519
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -7.992
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: 10, replica: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -64.050342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.050342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.050342 (E_RNA)
where:
Base-Base interactions energy: -20.361
where: short stacking energy: -19.892
Base-Backbone interact. energy: -0.007
local terms energy: -43.683161
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -3.081
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: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -172.059570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.059570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.059570 (E_RNA)
where:
Base-Base interactions energy: -110.030
where: short stacking energy: -43.859
Base-Backbone interact. energy: -0.003
local terms energy: -62.026358
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -10.079
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: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -179.814811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.814811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.814811 (E_RNA)
where:
Base-Base interactions energy: -115.237
where: short stacking energy: -44.447
Base-Backbone interact. energy: -0.040
local terms energy: -64.538421
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -9.653
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: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -163.747702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.747702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.747702 (E_RNA)
where:
Base-Base interactions energy: -109.239
where: short stacking energy: -40.999
Base-Backbone interact. energy: -0.007
local terms energy: -54.501079
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -13.069
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: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -171.831591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.831591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.831591 (E_RNA)
where:
Base-Base interactions energy: -108.430
where: short stacking energy: -40.691
Base-Backbone interact. energy: -0.004
local terms energy: -63.398237
where:
bonds (distance) C4'-P energy: -7.948
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -150.151740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.151740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.151740 (E_RNA)
where:
Base-Base interactions energy: -94.430
where: short stacking energy: -36.757
Base-Backbone interact. energy: -0.187
local terms energy: -55.535138
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -10.224
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -77.721527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.721527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.721527 (E_RNA)
where:
Base-Base interactions energy: -29.737
where: short stacking energy: -18.582
Base-Backbone interact. energy: -0.158
local terms energy: -47.826989
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -8.495
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: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -72.092603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.092603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.092603 (E_RNA)
where:
Base-Base interactions energy: -32.497
where: short stacking energy: -23.142
Base-Backbone interact. energy: -0.169
local terms energy: -39.426297
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -7.485
flat angles P-C4'-P energy: -0.818
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: 8, replica: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -77.571694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.571694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.571694 (E_RNA)
where:
Base-Base interactions energy: -47.826
where: short stacking energy: -8.068
Base-Backbone interact. energy: 1.801
local terms energy: -31.547129
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -3.384
flat angles C4'-P-C4' energy: -9.032
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: 0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -77.048252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.048252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.048252 (E_RNA)
where:
Base-Base interactions energy: -31.717
where: short stacking energy: -22.169
Base-Backbone interact. energy: -0.301
local terms energy: -45.030027
where:
bonds (distance) C4'-P energy: -8.837
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -7.147
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: 10, replica: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -53.913481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.913481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.913481 (E_RNA)
where:
Base-Base interactions energy: -15.014
where: short stacking energy: -9.101
Base-Backbone interact. energy: -0.028
local terms energy: -38.872344
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -6.907
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: 2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -184.513610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.513610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.513610 (E_RNA)
where:
Base-Base interactions energy: -117.562
where: short stacking energy: -52.101
Base-Backbone interact. energy: -0.017
local terms energy: -66.935228
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -178.978318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.978318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.978318 (E_RNA)
where:
Base-Base interactions energy: -117.774
where: short stacking energy: -46.813
Base-Backbone interact. energy: -0.313
local terms energy: -60.891539
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -18.322
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: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -179.718525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.718525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.718525 (E_RNA)
where:
Base-Base interactions energy: -120.484
where: short stacking energy: -48.270
Base-Backbone interact. energy: -0.085
local terms energy: -59.149588
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -160.806926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.806926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.806926 (E_RNA)
where:
Base-Base interactions energy: -105.474
where: short stacking energy: -28.207
Base-Backbone interact. energy: -0.025
local terms energy: -55.308234
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -11.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -146.740411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.740411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.740411 (E_RNA)
where:
Base-Base interactions energy: -98.080
where: short stacking energy: -38.950
Base-Backbone interact. energy: -0.453
local terms energy: -48.207296
where:
bonds (distance) C4'-P energy: -8.655
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -8.588
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -78.923962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.923962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.923962 (E_RNA)
where:
Base-Base interactions energy: -43.042
where: short stacking energy: -14.381
Base-Backbone interact. energy: -0.104
local terms energy: -35.778424
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -1.064
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -120.062143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.062143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.062143 (E_RNA)
where:
Base-Base interactions energy: -77.754
where: short stacking energy: -29.436
Base-Backbone interact. energy: -0.122
local terms energy: -42.186014
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -8.908
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: -6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -68.775255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.775255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.775255 (E_RNA)
where:
Base-Base interactions energy: -26.250
where: short stacking energy: -15.287
Base-Backbone interact. energy: -0.013
local terms energy: -42.512316
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -7.366
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: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -57.616491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.616491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.616491 (E_RNA)
where:
Base-Base interactions energy: -20.714
where: short stacking energy: -7.965
Base-Backbone interact. energy: -0.314
local terms energy: -36.588619
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: 4.710
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: 40
Temperature: 1.350000
Total energy: -62.391076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.391076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.391076 (E_RNA)
where:
Base-Base interactions energy: -26.852
where: short stacking energy: -22.706
Base-Backbone interact. energy: -0.008
local terms energy: -35.531422
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -5.867
flat angles P-C4'-P energy: -0.123
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: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -178.954109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.954109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.954109 (E_RNA)
where:
Base-Base interactions energy: -114.158
where: short stacking energy: -46.450
Base-Backbone interact. energy: -0.051
local terms energy: -64.744553
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -183.938383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.938383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.938383 (E_RNA)
where:
Base-Base interactions energy: -118.280
where: short stacking energy: -49.913
Base-Backbone interact. energy: -0.002
local terms energy: -65.656184
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -18.848
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: 41
Temperature: 1.000000
Total energy: -174.592111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.592111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.592111 (E_RNA)
where:
Base-Base interactions energy: -113.424
where: short stacking energy: -48.038
Base-Backbone interact. energy: -0.022
local terms energy: -61.146246
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -16.321
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: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -169.756665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.756665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.756665 (E_RNA)
where:
Base-Base interactions energy: -107.203
where: short stacking energy: -47.595
Base-Backbone interact. energy: -0.076
local terms energy: -62.477688
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -135.140529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.140529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.140529 (E_RNA)
where:
Base-Base interactions energy: -80.226
where: short stacking energy: -36.374
Base-Backbone interact. energy: -0.019
local terms energy: -54.895356
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -6.365
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: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -140.915536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.915536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.915536 (E_RNA)
where:
Base-Base interactions energy: -90.059
where: short stacking energy: -26.595
Base-Backbone interact. energy: -0.363
local terms energy: -50.493893
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -8.780
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -11.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -64.832787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.832787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.832787 (E_RNA)
where:
Base-Base interactions energy: -24.622
where: short stacking energy: -12.682
Base-Backbone interact. energy: -0.082
local terms energy: -40.128630
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -9.956
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -7.805
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: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -66.340338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.340338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.340338 (E_RNA)
where:
Base-Base interactions energy: -25.617
where: short stacking energy: -18.282
Base-Backbone interact. energy: -0.064
local terms energy: -40.658556
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -9.581
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: 0.913
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: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -57.361817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.361817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.361817 (E_RNA)
where:
Base-Base interactions energy: -24.101
where: short stacking energy: -12.249
Base-Backbone interact. energy: 0.583
local terms energy: -33.843311
where:
bonds (distance) C4'-P energy: -7.947
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -4.082
tors. eta vs tors. theta energy: 3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -64.463508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.463508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.463508 (E_RNA)
where:
Base-Base interactions energy: -26.210
where: short stacking energy: -12.022
Base-Backbone interact. energy: -0.061
local terms energy: -38.192641
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -6.693
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -184.730971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.730971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.730971 (E_RNA)
where:
Base-Base interactions energy: -120.778
where: short stacking energy: -46.691
Base-Backbone interact. energy: -0.059
local terms energy: -63.894666
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -8.171
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: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -179.510093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.510093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.510093 (E_RNA)
where:
Base-Base interactions energy: -123.877
where: short stacking energy: -45.866
Base-Backbone interact. energy: -0.001
local terms energy: -55.632122
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -10.923
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -3.299
tors. eta vs tors. theta energy: -17.213
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: 9
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -171.046443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.046443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.046443 (E_RNA)
where:
Base-Base interactions energy: -113.031
where: short stacking energy: -42.985
Base-Backbone interact. energy: -0.198
local terms energy: -57.817810
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -173.203992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.203992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.203992 (E_RNA)
where:
Base-Base interactions energy: -116.991
where: short stacking energy: -47.394
Base-Backbone interact. energy: -0.296
local terms energy: -55.917342
where:
bonds (distance) C4'-P energy: -9.044
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -4.762
tors. eta vs tors. theta energy: -16.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -165.511921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.511921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.511921 (E_RNA)
where:
Base-Base interactions energy: -109.203
where: short stacking energy: -40.030
Base-Backbone interact. energy: -0.001
local terms energy: -56.307739
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -12.703
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: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -162.625461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.625461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.625461 (E_RNA)
where:
Base-Base interactions energy: -107.217
where: short stacking energy: -36.600
Base-Backbone interact. energy: -0.029
local terms energy: -55.379951
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -11.016
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: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -65.468648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.468648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.468648 (E_RNA)
where:
Base-Base interactions energy: -25.731
where: short stacking energy: -13.463
Base-Backbone interact. energy: -0.717
local terms energy: -39.020637
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -6.795
flat angles P-C4'-P energy: -9.566
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: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -69.298146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.298146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.298146 (E_RNA)
where:
Base-Base interactions energy: -26.541
where: short stacking energy: -12.754
Base-Backbone interact. energy: -0.264
local terms energy: -42.492977
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: 2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -61.828071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.828071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.828071 (E_RNA)
where:
Base-Base interactions energy: -24.030
where: short stacking energy: -13.783
Base-Backbone interact. energy: -0.252
local terms energy: -37.545896
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -9.768
flat angles C4'-P-C4' energy: -7.468
flat angles P-C4'-P energy: -7.546
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: 42
Temperature: 1.350000
Total energy: -65.462564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.462564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.462564 (E_RNA)
where:
Base-Base interactions energy: -28.855
where: short stacking energy: -12.643
Base-Backbone interact. energy: -0.087
local terms energy: -36.520451
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -9.363
flat angles C4'-P-C4' energy: -9.397
flat angles P-C4'-P energy: -4.279
tors. eta vs tors. theta energy: -1.262
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: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -179.036936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.036936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.036936 (E_RNA)
where:
Base-Base interactions energy: -114.795
where: short stacking energy: -46.044
Base-Backbone interact. energy: -0.010
local terms energy: -64.232616
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -177.466772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.466772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.466772 (E_RNA)
where:
Base-Base interactions energy: -113.873
where: short stacking energy: -46.638
Base-Backbone interact. energy: -0.535
local terms energy: -63.059076
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -174.589182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.589182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.589182 (E_RNA)
where:
Base-Base interactions energy: -111.253
where: short stacking energy: -41.679
Base-Backbone interact. energy: -0.108
local terms energy: -63.227520
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -169.368561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.368561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.368561 (E_RNA)
where:
Base-Base interactions energy: -112.149
where: short stacking energy: -44.925
Base-Backbone interact. energy: -0.002
local terms energy: -57.218308
where:
bonds (distance) C4'-P energy: -8.374
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -9.915
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: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -168.075338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.075338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.075338 (E_RNA)
where:
Base-Base interactions energy: -115.679
where: short stacking energy: -48.227
Base-Backbone interact. energy: -0.016
local terms energy: -52.379439
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -9.701
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -13.147
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: 43
Temperature: 1.150000
Total energy: -152.138463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.138463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.138463 (E_RNA)
where:
Base-Base interactions energy: -102.144
where: short stacking energy: -34.223
Base-Backbone interact. energy: -0.104
local terms energy: -49.890548
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -4.729
flat angles P-C4'-P energy: -8.736
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: 7, replica: 6
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -67.192309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.192309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.192309 (E_RNA)
where:
Base-Base interactions energy: -31.261
where: short stacking energy: -23.169
Base-Backbone interact. energy: -0.694
local terms energy: -35.237464
where:
bonds (distance) C4'-P energy: -5.614
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -4.010
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: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -63.519015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.519015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.519015 (E_RNA)
where:
Base-Base interactions energy: -23.403
where: short stacking energy: -20.622
Base-Backbone interact. energy: -0.539
local terms energy: -39.577159
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -0.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -64.649086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.649086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.649086 (E_RNA)
where:
Base-Base interactions energy: -24.830
where: short stacking energy: -14.374
Base-Backbone interact. energy: -0.184
local terms energy: -39.634751
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: 1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -70.783255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.783255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.783255 (E_RNA)
where:
Base-Base interactions energy: -28.856
where: short stacking energy: -18.247
Base-Backbone interact. energy: -0.202
local terms energy: -41.725442
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -1.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -180.839018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.839018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.839018 (E_RNA)
where:
Base-Base interactions energy: -126.808
where: short stacking energy: -51.329
Base-Backbone interact. energy: -0.809
local terms energy: -53.222213
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -6.596
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -14.382
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: 2, replica: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -175.394593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.394593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.394593 (E_RNA)
where:
Base-Base interactions energy: -116.979
where: short stacking energy: -45.144
Base-Backbone interact. energy: -0.066
local terms energy: -58.349134
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -9.003
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: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -177.223050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.223050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.223050 (E_RNA)
where:
Base-Base interactions energy: -111.538
where: short stacking energy: -45.295
Base-Backbone interact. energy: -0.909
local terms energy: -64.775921
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -174.234539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.234539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.234539 (E_RNA)
where:
Base-Base interactions energy: -111.857
where: short stacking energy: -44.644
Base-Backbone interact. energy: -0.372
local terms energy: -62.005928
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -11.473
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -17.531
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: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -164.556418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.556418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.556418 (E_RNA)
where:
Base-Base interactions energy: -111.884
where: short stacking energy: -40.790
Base-Backbone interact. energy: -0.263
local terms energy: -52.409552
where:
bonds (distance) C4'-P energy: -5.071
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: -10.438
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: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -168.555724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.555724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.555724 (E_RNA)
where:
Base-Base interactions energy: -107.321
where: short stacking energy: -39.103
Base-Backbone interact. energy: -0.016
local terms energy: -61.218348
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -16.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -58.287962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.287962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.287962 (E_RNA)
where:
Base-Base interactions energy: -16.836
where: short stacking energy: -16.836
Base-Backbone interact. energy: -0.004
local terms energy: -41.447493
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -8.658
flat angles P-C4'-P energy: -2.087
tors. eta vs tors. theta energy: -5.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -59.830610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.830610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.830610 (E_RNA)
where:
Base-Base interactions energy: -17.181
where: short stacking energy: -12.395
Base-Backbone interact. energy: -0.436
local terms energy: -42.214060
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -8.396
flat angles P-C4'-P energy: -6.093
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: 9, replica: 4
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -79.723565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.723565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.723565 (E_RNA)
where:
Base-Base interactions energy: -44.562
where: short stacking energy: -17.335
Base-Backbone interact. energy: -0.187
local terms energy: -34.974784
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -2.965
tors. eta vs tors. theta energy: 1.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -67.959422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.959422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.959422 (E_RNA)
where:
Base-Base interactions energy: -30.375
where: short stacking energy: -18.727
Base-Backbone interact. energy: -1.326
local terms energy: -36.258824
where:
bonds (distance) C4'-P energy: -6.367
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -10.138
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -182.262554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.262554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.262554 (E_RNA)
where:
Base-Base interactions energy: -119.280
where: short stacking energy: -46.522
Base-Backbone interact. energy: -0.052
local terms energy: -62.930499
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -15.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -172.719054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.719054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.719054 (E_RNA)
where:
Base-Base interactions energy: -114.583
where: short stacking energy: -43.201
Base-Backbone interact. energy: -0.009
local terms energy: -58.126657
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -175.228576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.228576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.228576 (E_RNA)
where:
Base-Base interactions energy: -113.660
where: short stacking energy: -37.950
Base-Backbone interact. energy: -0.042
local terms energy: -61.526544
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -14.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -171.965876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.965876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.965876 (E_RNA)
where:
Base-Base interactions energy: -107.676
where: short stacking energy: -41.082
Base-Backbone interact. energy: -0.159
local terms energy: -64.130847
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -8.156
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: 5, replica: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -170.220882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.220882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.220882 (E_RNA)
where:
Base-Base interactions energy: -110.591
where: short stacking energy: -45.633
Base-Backbone interact. energy: -0.038
local terms energy: -59.592306
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -17.835
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: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -171.667924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.667924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.667924 (E_RNA)
where:
Base-Base interactions energy: -112.371
where: short stacking energy: -40.347
Base-Backbone interact. energy: 1.192
local terms energy: -60.488684
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -13.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -68.939967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.939967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.939967 (E_RNA)
where:
Base-Base interactions energy: -29.559
where: short stacking energy: -21.694
Base-Backbone interact. energy: 1.639
local terms energy: -41.019792
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -7.668
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -72.207089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.207089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.207089 (E_RNA)
where:
Base-Base interactions energy: -38.939
where: short stacking energy: -7.538
Base-Backbone interact. energy: 0.272
local terms energy: -33.540077
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -7.972
flat angles P-C4'-P energy: -3.686
tors. eta vs tors. theta energy: 1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -57.666510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.666510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.666510 (E_RNA)
where:
Base-Base interactions energy: -22.075
where: short stacking energy: -17.877
Base-Backbone interact. energy: -0.068
local terms energy: -35.523718
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -8.427
flat angles P-C4'-P energy: -1.660
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: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -54.093127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.093127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.093127 (E_RNA)
where:
Base-Base interactions energy: -9.843
where: short stacking energy: -9.843
Base-Backbone interact. energy: -0.384
local terms energy: -43.866533
where:
bonds (distance) C4'-P energy: -9.687
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -2.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -181.834702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.834702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.834702 (E_RNA)
where:
Base-Base interactions energy: -121.953
where: short stacking energy: -41.313
Base-Backbone interact. energy: -0.221
local terms energy: -59.660119
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -178.871006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.871006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.871006 (E_RNA)
where:
Base-Base interactions energy: -116.634
where: short stacking energy: -49.578
Base-Backbone interact. energy: -0.203
local terms energy: -62.034615
where:
bonds (distance) C4'-P energy: -9.041
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -17.969
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: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -178.988149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.988149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.988149 (E_RNA)
where:
Base-Base interactions energy: -112.420
where: short stacking energy: -45.419
Base-Backbone interact. energy: -0.008
local terms energy: -66.559425
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -16.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -157.675358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.675358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.675358 (E_RNA)
where:
Base-Base interactions energy: -100.420
where: short stacking energy: -41.639
Base-Backbone interact. energy: 0.404
local terms energy: -57.659549
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -137.694076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.694076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.694076 (E_RNA)
where:
Base-Base interactions energy: -82.212
where: short stacking energy: -37.067
Base-Backbone interact. energy: -0.592
local terms energy: -54.889771
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -8.882
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -164.740617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.740617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.740617 (E_RNA)
where:
Base-Base interactions energy: -105.193
where: short stacking energy: -40.954
Base-Backbone interact. energy: -0.281
local terms energy: -59.267460
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -75.903010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.903010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.903010 (E_RNA)
where:
Base-Base interactions energy: -35.425
where: short stacking energy: -17.809
Base-Backbone interact. energy: -0.233
local terms energy: -40.244519
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -4.394
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: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -57.835036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.835036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.835036 (E_RNA)
where:
Base-Base interactions energy: -15.717
where: short stacking energy: -7.602
Base-Backbone interact. energy: -0.069
local terms energy: -42.048704
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: 1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -61.277727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.277727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.277727 (E_RNA)
where:
Base-Base interactions energy: -17.425
where: short stacking energy: -11.255
Base-Backbone interact. energy: 0.935
local terms energy: -44.787262
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -5.937
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: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -55.509372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.509372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.509372 (E_RNA)
where:
Base-Base interactions energy: -18.798
where: short stacking energy: -10.732
Base-Backbone interact. energy: -0.399
local terms energy: -36.313128
where:
bonds (distance) C4'-P energy: -5.986
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -6.148
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: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -178.143457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.143457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.143457 (E_RNA)
where:
Base-Base interactions energy: -117.162
where: short stacking energy: -35.581
Base-Backbone interact. energy: -0.199
local terms energy: -60.782033
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -180.632219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.632219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.632219 (E_RNA)
where:
Base-Base interactions energy: -119.045
where: short stacking energy: -47.895
Base-Backbone interact. energy: -0.015
local terms energy: -61.572324
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -7.481
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -172.448058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.448058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.448058 (E_RNA)
where:
Base-Base interactions energy: -118.114
where: short stacking energy: -49.510
Base-Backbone interact. energy: -0.033
local terms energy: -54.300899
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -5.788
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -11.931
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: 4, replica: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -156.474444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.474444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.474444 (E_RNA)
where:
Base-Base interactions energy: -101.650
where: short stacking energy: -35.794
Base-Backbone interact. energy: -0.054
local terms energy: -54.770833
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -6.351
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -12.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -160.708650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.708650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.708650 (E_RNA)
where:
Base-Base interactions energy: -101.264
where: short stacking energy: -43.491
Base-Backbone interact. energy: -1.185
local terms energy: -58.260294
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -164.324173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.324173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.324173 (E_RNA)
where:
Base-Base interactions energy: -106.692
where: short stacking energy: -41.399
Base-Backbone interact. energy: -0.008
local terms energy: -57.624396
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -10.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -62.582874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.582874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.582874 (E_RNA)
where:
Base-Base interactions energy: -23.321
where: short stacking energy: -19.076
Base-Backbone interact. energy: -0.192
local terms energy: -39.070006
where:
bonds (distance) C4'-P energy: -9.405
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -7.017
flat angles P-C4'-P energy: -8.185
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: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -79.788281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.788281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.788281 (E_RNA)
where:
Base-Base interactions energy: -33.181
where: short stacking energy: -18.312
Base-Backbone interact. energy: -0.085
local terms energy: -46.522558
where:
bonds (distance) C4'-P energy: -7.997
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -9.881
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: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -60.171610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.171610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.171610 (E_RNA)
where:
Base-Base interactions energy: -22.242
where: short stacking energy: -12.926
Base-Backbone interact. energy: -0.149
local terms energy: -37.780920
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -1.581
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: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -55.886537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.886537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.886537 (E_RNA)
where:
Base-Base interactions energy: -18.881
where: short stacking energy: -14.324
Base-Backbone interact. energy: -0.017
local terms energy: -36.988355
where:
bonds (distance) C4'-P energy: -8.131
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -6.090
flat angles P-C4'-P energy: -9.819
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: 5
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -184.315538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.315538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.315538 (E_RNA)
where:
Base-Base interactions energy: -117.521
where: short stacking energy: -47.353
Base-Backbone interact. energy: -0.026
local terms energy: -66.768549
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -9.642
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: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -178.247451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.247451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.247451 (E_RNA)
where:
Base-Base interactions energy: -116.678
where: short stacking energy: -51.044
Base-Backbone interact. energy: -0.000
local terms energy: -61.569379
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -18.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -175.630404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.630404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.630404 (E_RNA)
where:
Base-Base interactions energy: -117.482
where: short stacking energy: -50.652
Base-Backbone interact. energy: -0.016
local terms energy: -58.132592
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: -17.706
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: 7
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -171.684885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.684885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.684885 (E_RNA)
where:
Base-Base interactions energy: -113.247
where: short stacking energy: -47.679
Base-Backbone interact. energy: -0.361
local terms energy: -58.077096
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -9.989
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -16.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -169.987557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.987557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.987557 (E_RNA)
where:
Base-Base interactions energy: -110.507
where: short stacking energy: -43.829
Base-Backbone interact. energy: -0.008
local terms energy: -59.472645
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -4.465
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: 6, replica: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -164.452691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.452691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.452691 (E_RNA)
where:
Base-Base interactions energy: -106.375
where: short stacking energy: -40.369
Base-Backbone interact. energy: -0.006
local terms energy: -58.071487
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -10.463
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -13.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -62.262264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.262264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.262264 (E_RNA)
where:
Base-Base interactions energy: -21.535
where: short stacking energy: -8.249
Base-Backbone interact. energy: -0.117
local terms energy: -40.609624
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -11.674
flat angles C4'-P-C4' energy: -8.181
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: 0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -59.119523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.119523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.119523 (E_RNA)
where:
Base-Base interactions energy: -25.805
where: short stacking energy: -16.633
Base-Backbone interact. energy: -0.292
local terms energy: -33.022612
where:
bonds (distance) C4'-P energy: -10.097
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -7.531
flat angles P-C4'-P energy: -5.157
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: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -67.594521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.594521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.594521 (E_RNA)
where:
Base-Base interactions energy: -32.558
where: short stacking energy: -11.396
Base-Backbone interact. energy: -1.645
local terms energy: -33.391287
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -9.410
flat angles C4'-P-C4' energy: -7.967
flat angles P-C4'-P energy: -4.456
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -58.732313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.732313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.732313 (E_RNA)
where:
Base-Base interactions energy: -25.065
where: short stacking energy: -15.212
Base-Backbone interact. energy: -0.123
local terms energy: -33.544761
where:
bonds (distance) C4'-P energy: -8.966
bonds (distance) P-C4' energy: -7.542
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: 0.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -184.234159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.234159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.234159 (E_RNA)
where:
Base-Base interactions energy: -123.885
where: short stacking energy: -48.438
Base-Backbone interact. energy: -0.075
local terms energy: -60.273522
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -10.154
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: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -181.022965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.022965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.022965 (E_RNA)
where:
Base-Base interactions energy: -117.254
where: short stacking energy: -49.178
Base-Backbone interact. energy: -0.073
local terms energy: -63.696115
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -172.475088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.475088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.475088 (E_RNA)
where:
Base-Base interactions energy: -115.539
where: short stacking energy: -39.960
Base-Backbone interact. energy: 1.633
local terms energy: -58.568234
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -175.676277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.676277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.676277 (E_RNA)
where:
Base-Base interactions energy: -114.925
where: short stacking energy: -45.932
Base-Backbone interact. energy: -0.138
local terms energy: -60.613416
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -15.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -161.966981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.966981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.966981 (E_RNA)
where:
Base-Base interactions energy: -106.079
where: short stacking energy: -42.835
Base-Backbone interact. energy: -0.014
local terms energy: -55.873456
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -12.271
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: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -167.468261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.468261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.468261 (E_RNA)
where:
Base-Base interactions energy: -110.650
where: short stacking energy: -46.985
Base-Backbone interact. energy: -0.265
local terms energy: -56.553003
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -7.430
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: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -71.883226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.883226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.883226 (E_RNA)
where:
Base-Base interactions energy: -29.616
where: short stacking energy: -14.146
Base-Backbone interact. energy: -0.450
local terms energy: -41.817411
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -6.580
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: 8, replica: 6
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -64.330589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.330589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.330589 (E_RNA)
where:
Base-Base interactions energy: -31.990
where: short stacking energy: -20.581
Base-Backbone interact. energy: -0.105
local terms energy: -32.234739
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -9.441
flat angles C4'-P-C4' energy: -8.081
flat angles P-C4'-P energy: -4.282
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: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -60.662449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.662449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.662449 (E_RNA)
where:
Base-Base interactions energy: -19.342
where: short stacking energy: -16.332
Base-Backbone interact. energy: -0.074
local terms energy: -41.245984
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -7.694
flat angles P-C4'-P energy: -8.910
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: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -79.361534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.361534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.361534 (E_RNA)
where:
Base-Base interactions energy: -37.913
where: short stacking energy: -13.778
Base-Backbone interact. energy: 0.756
local terms energy: -42.204879
where:
bonds (distance) C4'-P energy: -8.001
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -182.057610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.057610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.057610 (E_RNA)
where:
Base-Base interactions energy: -116.400
where: short stacking energy: -51.405
Base-Backbone interact. energy: -0.002
local terms energy: -65.656288
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -7.213
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: 2, replica: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -180.825892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.825892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.825892 (E_RNA)
where:
Base-Base interactions energy: -116.943
where: short stacking energy: -51.570
Base-Backbone interact. energy: -0.005
local terms energy: -63.878627
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -10.292
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: 50
Temperature: 1.000000
Total energy: -180.350268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.350268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.350268 (E_RNA)
where:
Base-Base interactions energy: -115.737
where: short stacking energy: -45.632
Base-Backbone interact. energy: -0.001
local terms energy: -64.612154
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -171.743919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.743919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.743919 (E_RNA)
where:
Base-Base interactions energy: -109.865
where: short stacking energy: -43.378
Base-Backbone interact. energy: -0.000
local terms energy: -61.878895
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -16.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -163.896525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.896525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.896525 (E_RNA)
where:
Base-Base interactions energy: -107.847
where: short stacking energy: -39.545
Base-Backbone interact. energy: -0.028
local terms energy: -56.021976
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -8.505
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -12.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -147.534160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.534160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.534160 (E_RNA)
where:
Base-Base interactions energy: -87.624
where: short stacking energy: -35.609
Base-Backbone interact. energy: -0.070
local terms energy: -59.840090
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -13.313
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: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -69.913493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.913493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.913493 (E_RNA)
where:
Base-Base interactions energy: -37.227
where: short stacking energy: -15.258
Base-Backbone interact. energy: -0.246
local terms energy: -32.441322
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -6.036
flat angles P-C4'-P energy: -2.625
tors. eta vs tors. theta energy: -0.145
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: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -83.651977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.651977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.651977 (E_RNA)
where:
Base-Base interactions energy: -44.346
where: short stacking energy: -15.951
Base-Backbone interact. energy: -0.183
local terms energy: -39.123058
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -6.420
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -66.886972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.886972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.886972 (E_RNA)
where:
Base-Base interactions energy: -29.612
where: short stacking energy: -24.658
Base-Backbone interact. energy: -0.209
local terms energy: -37.065714
where:
bonds (distance) C4'-P energy: -6.905
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -5.271
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -77.412929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.412929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.412929 (E_RNA)
where:
Base-Base interactions energy: -37.121
where: short stacking energy: -13.949
Base-Backbone interact. energy: -0.116
local terms energy: -40.176101
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -11.220
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -3.128
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: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -182.045732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.045732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.045732 (E_RNA)
where:
Base-Base interactions energy: -116.380
where: short stacking energy: -42.534
Base-Backbone interact. energy: -0.792
local terms energy: -64.872991
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -17.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -174.668598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.668598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.668598 (E_RNA)
where:
Base-Base interactions energy: -121.719
where: short stacking energy: -43.563
Base-Backbone interact. energy: 0.417
local terms energy: -53.367107
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -3.707
tors. eta vs tors. theta energy: -11.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -174.527903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.527903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.527903 (E_RNA)
where:
Base-Base interactions energy: -118.289
where: short stacking energy: -43.191
Base-Backbone interact. energy: -0.081
local terms energy: -56.157649
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -9.375
flat angles P-C4'-P energy: -5.698
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: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -172.219293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.219293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.219293 (E_RNA)
where:
Base-Base interactions energy: -116.420
where: short stacking energy: -41.175
Base-Backbone interact. energy: -0.010
local terms energy: -55.789015
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -9.173
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -135.062132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.062132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.062132 (E_RNA)
where:
Base-Base interactions energy: -85.575
where: short stacking energy: -23.322
Base-Backbone interact. energy: -1.069
local terms energy: -48.418750
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -125.586409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.586409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.586409 (E_RNA)
where:
Base-Base interactions energy: -70.093
where: short stacking energy: -28.747
Base-Backbone interact. energy: -0.137
local terms energy: -55.356292
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -11.710
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -80.670614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.670614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.670614 (E_RNA)
where:
Base-Base interactions energy: -43.186
where: short stacking energy: -13.797
Base-Backbone interact. energy: -0.681
local terms energy: -36.803188
where:
bonds (distance) C4'-P energy: -7.940
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -4.423
tors. eta vs tors. theta energy: 0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -59.575212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.575212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.575212 (E_RNA)
where:
Base-Base interactions energy: -18.075
where: short stacking energy: -18.132
Base-Backbone interact. energy: -0.242
local terms energy: -41.258370
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -2.364
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: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -55.146464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.146464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.146464 (E_RNA)
where:
Base-Base interactions energy: -12.648
where: short stacking energy: -4.999
Base-Backbone interact. energy: -0.069
local terms energy: -42.430080
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -6.742
flat angles P-C4'-P energy: -11.510
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: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -69.629435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.629435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.629435 (E_RNA)
where:
Base-Base interactions energy: -24.626
where: short stacking energy: -8.571
Base-Backbone interact. energy: -0.081
local terms energy: -44.922315
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -7.922
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -185.959529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.959529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.959529 (E_RNA)
where:
Base-Base interactions energy: -118.144
where: short stacking energy: -46.112
Base-Backbone interact. energy: -0.417
local terms energy: -67.398514
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -9.250
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: 52
Temperature: 0.950000
Total energy: -178.312617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.312617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.312617 (E_RNA)
where:
Base-Base interactions energy: -117.546
where: short stacking energy: -51.452
Base-Backbone interact. energy: -0.014
local terms energy: -60.752319
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -172.907438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.907438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.907438 (E_RNA)
where:
Base-Base interactions energy: -124.291
where: short stacking energy: -43.914
Base-Backbone interact. energy: -0.443
local terms energy: -48.173033
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -8.291
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -2.478
tors. eta vs tors. theta energy: -14.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -168.866877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.866877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.866877 (E_RNA)
where:
Base-Base interactions energy: -105.042
where: short stacking energy: -39.080
Base-Backbone interact. energy: -0.071
local terms energy: -63.754175
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -15.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -124.722076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.722076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.722076 (E_RNA)
where:
Base-Base interactions energy: -74.495
where: short stacking energy: -32.207
Base-Backbone interact. energy: -0.025
local terms energy: -50.201683
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -6.416
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -138.033438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.033438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.033438 (E_RNA)
where:
Base-Base interactions energy: -78.989
where: short stacking energy: -31.338
Base-Backbone interact. energy: -0.158
local terms energy: -58.885620
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -9.911
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: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -75.225295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.225295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.225295 (E_RNA)
where:
Base-Base interactions energy: -32.932
where: short stacking energy: -18.745
Base-Backbone interact. energy: -0.178
local terms energy: -42.115899
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -72.229194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.229194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.229194 (E_RNA)
where:
Base-Base interactions energy: -31.755
where: short stacking energy: -21.074
Base-Backbone interact. energy: 1.023
local terms energy: -41.497423
where:
bonds (distance) C4'-P energy: -10.283
bonds (distance) P-C4' energy: -8.659
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -3.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -83.354119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.354119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.354119 (E_RNA)
where:
Base-Base interactions energy: -39.654
where: short stacking energy: -21.071
Base-Backbone interact. energy: -0.173
local terms energy: -43.526844
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -10.696
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -3.924
tors. eta vs tors. theta energy: -4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -59.712620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.712620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.712620 (E_RNA)
where:
Base-Base interactions energy: -22.315
where: short stacking energy: -16.776
Base-Backbone interact. energy: -0.162
local terms energy: -37.235496
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -7.045
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -3.854
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -182.674976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.674976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.674976 (E_RNA)
where:
Base-Base interactions energy: -119.903
where: short stacking energy: -51.549
Base-Backbone interact. energy: -0.009
local terms energy: -62.763066
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -15.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -176.265648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.265648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.265648 (E_RNA)
where:
Base-Base interactions energy: -111.020
where: short stacking energy: -44.104
Base-Backbone interact. energy: -0.001
local terms energy: -65.244185
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -170.858653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.858653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.858653 (E_RNA)
where:
Base-Base interactions energy: -113.588
where: short stacking energy: -37.716
Base-Backbone interact. energy: -0.091
local terms energy: -57.179484
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -10.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -174.857337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.857337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.857337 (E_RNA)
where:
Base-Base interactions energy: -107.449
where: short stacking energy: -42.668
Base-Backbone interact. energy: -0.287
local terms energy: -67.121431
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -129.767181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.767181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.767181 (E_RNA)
where:
Base-Base interactions energy: -76.536
where: short stacking energy: -30.046
Base-Backbone interact. energy: -0.113
local terms energy: -53.118031
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -8.203
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: 6, replica: 1
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -134.754895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.754895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.754895 (E_RNA)
where:
Base-Base interactions energy: -75.175
where: short stacking energy: -28.128
Base-Backbone interact. energy: -0.122
local terms energy: -59.458757
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -63.606257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.606257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.606257 (E_RNA)
where:
Base-Base interactions energy: -21.275
where: short stacking energy: -17.155
Base-Backbone interact. energy: -0.291
local terms energy: -42.039500
where:
bonds (distance) C4'-P energy: -8.792
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -9.066
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -69.572781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.572781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.572781 (E_RNA)
where:
Base-Base interactions energy: -34.999
where: short stacking energy: -8.236
Base-Backbone interact. energy: -0.134
local terms energy: -34.439622
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -6.176
flat angles P-C4'-P energy: -4.410
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: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -59.478520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.478520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.478520 (E_RNA)
where:
Base-Base interactions energy: -19.634
where: short stacking energy: -11.188
Base-Backbone interact. energy: -0.095
local terms energy: -39.749488
where:
bonds (distance) C4'-P energy: -9.334
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -66.541795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.541795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.541795 (E_RNA)
where:
Base-Base interactions energy: -22.778
where: short stacking energy: -15.388
Base-Backbone interact. energy: -0.762
local terms energy: -43.001027
where:
bonds (distance) C4'-P energy: -11.695
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -183.222387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.222387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.222387 (E_RNA)
where:
Base-Base interactions energy: -123.085
where: short stacking energy: -46.353
Base-Backbone interact. energy: -0.034
local terms energy: -60.103772
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -1.683
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: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -182.733263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.733263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.733263 (E_RNA)
where:
Base-Base interactions energy: -118.438
where: short stacking energy: -48.233
Base-Backbone interact. energy: -0.000
local terms energy: -64.294994
where:
bonds (distance) C4'-P energy: -8.893
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -177.459511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.459511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.459511 (E_RNA)
where:
Base-Base interactions energy: -115.803
where: short stacking energy: -45.838
Base-Backbone interact. energy: -0.031
local terms energy: -61.625664
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -166.632376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.632376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.632376 (E_RNA)
where:
Base-Base interactions energy: -111.299
where: short stacking energy: -43.132
Base-Backbone interact. energy: -0.006
local terms energy: -55.327129
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -9.309
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -13.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -134.887490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.887490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.887490 (E_RNA)
where:
Base-Base interactions energy: -82.585
where: short stacking energy: -28.436
Base-Backbone interact. energy: -0.118
local terms energy: -52.184677
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -10.548
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -8.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -124.102491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.102491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.102491 (E_RNA)
where:
Base-Base interactions energy: -70.679
where: short stacking energy: -25.923
Base-Backbone interact. energy: -0.062
local terms energy: -53.361784
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -8.195
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -8.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -62.736337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.736337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.736337 (E_RNA)
where:
Base-Base interactions energy: -16.691
where: short stacking energy: -16.691
Base-Backbone interact. energy: -0.106
local terms energy: -45.939260
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -4.828
tors. eta vs tors. theta energy: -3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -70.430396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.430396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.430396 (E_RNA)
where:
Base-Base interactions energy: -29.722
where: short stacking energy: -18.091
Base-Backbone interact. energy: -0.254
local terms energy: -40.454509
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: 0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -60.844221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.844221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.844221 (E_RNA)
where:
Base-Base interactions energy: -20.092
where: short stacking energy: -12.678
Base-Backbone interact. energy: -0.144
local terms energy: -40.609015
where:
bonds (distance) C4'-P energy: -6.751
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -51.031244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.031244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.031244 (E_RNA)
where:
Base-Base interactions energy: -19.551
where: short stacking energy: -16.940
Base-Backbone interact. energy: -0.160
local terms energy: -31.319957
where:
bonds (distance) C4'-P energy: -7.583
bonds (distance) P-C4' energy: -7.295
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -5.461
tors. eta vs tors. theta energy: 0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -181.682783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.682783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.682783 (E_RNA)
where:
Base-Base interactions energy: -117.627
where: short stacking energy: -50.362
Base-Backbone interact. energy: -0.003
local terms energy: -64.052254
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -15.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -180.239810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.239810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.239810 (E_RNA)
where:
Base-Base interactions energy: -116.012
where: short stacking energy: -49.879
Base-Backbone interact. energy: -0.007
local terms energy: -64.220537
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -9.821
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: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -173.512199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.512199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.512199 (E_RNA)
where:
Base-Base interactions energy: -110.825
where: short stacking energy: -49.484
Base-Backbone interact. energy: -0.008
local terms energy: -62.679695
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -7.355
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -16.623
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: 4, replica: 9
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -135.091984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.091984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.091984 (E_RNA)
where:
Base-Base interactions energy: -81.950
where: short stacking energy: -34.548
Base-Backbone interact. energy: -0.629
local terms energy: -52.513768
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -4.922
tors. eta vs tors. theta energy: -10.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -173.989608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.989608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.989608 (E_RNA)
where:
Base-Base interactions energy: -111.399
where: short stacking energy: -42.011
Base-Backbone interact. energy: -0.126
local terms energy: -62.464528
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -16.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -124.175363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.175363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.175363 (E_RNA)
where:
Base-Base interactions energy: -72.445
where: short stacking energy: -24.976
Base-Backbone interact. energy: 0.072
local terms energy: -51.802279
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -68.896924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.896924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.896924 (E_RNA)
where:
Base-Base interactions energy: -30.260
where: short stacking energy: -13.248
Base-Backbone interact. energy: 0.059
local terms energy: -38.695488
where:
bonds (distance) C4'-P energy: -7.309
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -65.564940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.564940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.564940 (E_RNA)
where:
Base-Base interactions energy: -22.876
where: short stacking energy: -14.982
Base-Backbone interact. energy: -0.212
local terms energy: -42.476991
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -8.664
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: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -58.545331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.545331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.545331 (E_RNA)
where:
Base-Base interactions energy: -23.205
where: short stacking energy: -12.241
Base-Backbone interact. energy: 3.112
local terms energy: -38.452638
where:
bonds (distance) C4'-P energy: -7.539
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: 3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -55.548291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.548291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.548291 (E_RNA)
where:
Base-Base interactions energy: -17.713
where: short stacking energy: -11.028
Base-Backbone interact. energy: -0.231
local terms energy: -37.604126
where:
bonds (distance) C4'-P energy: -9.493
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -2.293
tors. eta vs tors. theta energy: 0.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -181.681507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.681507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.681507 (E_RNA)
where:
Base-Base interactions energy: -120.742
where: short stacking energy: -48.417
Base-Backbone interact. energy: -0.002
local terms energy: -60.937777
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -10.117
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -17.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -177.928256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.928256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.928256 (E_RNA)
where:
Base-Base interactions energy: -113.802
where: short stacking energy: -47.173
Base-Backbone interact. energy: -0.593
local terms energy: -63.533497
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -18.229
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: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -175.348318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.348318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.348318 (E_RNA)
where:
Base-Base interactions energy: -114.947
where: short stacking energy: -45.185
Base-Backbone interact. energy: -0.007
local terms energy: -60.394974
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -5.611
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: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -131.071225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.071225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.071225 (E_RNA)
where:
Base-Base interactions energy: -78.770
where: short stacking energy: -40.049
Base-Backbone interact. energy: -0.109
local terms energy: -52.191855
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -4.737
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: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -164.374021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.374021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.374021 (E_RNA)
where:
Base-Base interactions energy: -104.878
where: short stacking energy: -35.398
Base-Backbone interact. energy: -0.101
local terms energy: -59.394658
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -9.263
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -13.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -109.359764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.359764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.359764 (E_RNA)
where:
Base-Base interactions energy: -61.856
where: short stacking energy: -24.686
Base-Backbone interact. energy: -0.548
local terms energy: -46.955803
where:
bonds (distance) C4'-P energy: -8.168
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -6.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -67.683741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.683741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.683741 (E_RNA)
where:
Base-Base interactions energy: -21.271
where: short stacking energy: -12.386
Base-Backbone interact. energy: -0.063
local terms energy: -46.349811
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -8.351
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -64.412547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.412547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.412547 (E_RNA)
where:
Base-Base interactions energy: -21.463
where: short stacking energy: -19.646
Base-Backbone interact. energy: -0.161
local terms energy: -42.788632
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: 0.155
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: 56
Temperature: 1.300000
Total energy: -65.364516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.364516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.364516 (E_RNA)
where:
Base-Base interactions energy: -44.009
where: short stacking energy: -11.027
Base-Backbone interact. energy: 1.378
local terms energy: -22.733953
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -7.092
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -0.324
tors. eta vs tors. theta energy: 5.143
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: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -58.839600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.839600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.839600 (E_RNA)
where:
Base-Base interactions energy: -17.739
where: short stacking energy: -12.957
Base-Backbone interact. energy: -0.366
local terms energy: -40.734577
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: 1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -181.545929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.545929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.545929 (E_RNA)
where:
Base-Base interactions energy: -113.833
where: short stacking energy: -47.590
Base-Backbone interact. energy: -0.218
local terms energy: -67.495389
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -12.069
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: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -179.136160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.136160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.136160 (E_RNA)
where:
Base-Base interactions energy: -117.850
where: short stacking energy: -49.193
Base-Backbone interact. energy: -0.017
local terms energy: -61.269562
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -174.838139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.838139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.838139 (E_RNA)
where:
Base-Base interactions energy: -111.147
where: short stacking energy: -44.726
Base-Backbone interact. energy: -0.002
local terms energy: -63.689417
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -8.423
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: 4, replica: 5
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -130.545818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.545818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.545818 (E_RNA)
where:
Base-Base interactions energy: -89.101
where: short stacking energy: -34.355
Base-Backbone interact. energy: -0.105
local terms energy: -41.340022
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -8.760
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: 0.232
tors. eta vs tors. theta energy: -8.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -131.471116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.471116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.471116 (E_RNA)
where:
Base-Base interactions energy: -77.627
where: short stacking energy: -30.217
Base-Backbone interact. energy: -0.013
local terms energy: -53.831155
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -8.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -75.298365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.298365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.298365 (E_RNA)
where:
Base-Base interactions energy: -37.114
where: short stacking energy: -15.226
Base-Backbone interact. energy: 0.247
local terms energy: -38.431483
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -7.896
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -8.434
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: 1
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -82.232483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.232483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.232483 (E_RNA)
where:
Base-Base interactions energy: -40.051
where: short stacking energy: -12.968
Base-Backbone interact. energy: -0.238
local terms energy: -41.942884
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -2.797
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -63.692629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.692629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.692629 (E_RNA)
where:
Base-Base interactions energy: -22.973
where: short stacking energy: -17.515
Base-Backbone interact. energy: -0.162
local terms energy: -40.557445
where:
bonds (distance) C4'-P energy: -8.891
bonds (distance) P-C4' energy: -8.210
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -2.112
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: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -58.813169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.813169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.813169 (E_RNA)
where:
Base-Base interactions energy: -15.300
where: short stacking energy: -15.300
Base-Backbone interact. energy: 1.866
local terms energy: -45.379575
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -6.605
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: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -74.825147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.825147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.825147 (E_RNA)
where:
Base-Base interactions energy: -41.486
where: short stacking energy: -16.993
Base-Backbone interact. energy: -0.005
local terms energy: -33.334028
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -6.603
flat angles P-C4'-P energy: -1.171
tors. eta vs tors. theta energy: -2.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -183.273735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.273735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.273735 (E_RNA)
where:
Base-Base interactions energy: -122.971
where: short stacking energy: -49.695
Base-Backbone interact. energy: -0.082
local terms energy: -60.220683
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -184.859574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.859574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.859574 (E_RNA)
where:
Base-Base interactions energy: -120.439
where: short stacking energy: -45.997
Base-Backbone interact. energy: -0.151
local terms energy: -64.268804
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -162.938475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.938475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.938475 (E_RNA)
where:
Base-Base interactions energy: -101.516
where: short stacking energy: -36.858
Base-Backbone interact. energy: -0.022
local terms energy: -61.399759
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -11.296
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: 4, replica: 5
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -126.574715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.574715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.574715 (E_RNA)
where:
Base-Base interactions energy: -72.584
where: short stacking energy: -25.808
Base-Backbone interact. energy: -0.009
local terms energy: -53.981506
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -9.438
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -12.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -133.201733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.201733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.201733 (E_RNA)
where:
Base-Base interactions energy: -81.278
where: short stacking energy: -27.199
Base-Backbone interact. energy: 0.143
local terms energy: -52.066437
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -9.797
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -11.846
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: 6, replica: 8
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -71.362096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.362096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.362096 (E_RNA)
where:
Base-Base interactions energy: -20.798
where: short stacking energy: -15.281
Base-Backbone interact. energy: -0.082
local terms energy: -50.481682
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -9.663
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: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -70.503290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.503290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.503290 (E_RNA)
where:
Base-Base interactions energy: -32.064
where: short stacking energy: -20.131
Base-Backbone interact. energy: -0.133
local terms energy: -38.306285
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -4.616
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: 8, replica: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -61.652656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.652656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.652656 (E_RNA)
where:
Base-Base interactions energy: -18.296
where: short stacking energy: -14.626
Base-Backbone interact. energy: -0.278
local terms energy: -43.077970
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -0.422
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: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -59.118550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.118550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.118550 (E_RNA)
where:
Base-Base interactions energy: -17.715
where: short stacking energy: -17.493
Base-Backbone interact. energy: -0.202
local terms energy: -41.201592
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -9.521
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -58.889868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.889868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.889868 (E_RNA)
where:
Base-Base interactions energy: -31.488
where: short stacking energy: -15.229
Base-Backbone interact. energy: -0.209
local terms energy: -27.193141
where:
bonds (distance) C4'-P energy: -7.563
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -9.395
flat angles P-C4'-P energy: -0.864
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: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -180.453896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.453896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.453896 (E_RNA)
where:
Base-Base interactions energy: -119.190
where: short stacking energy: -44.523
Base-Backbone interact. energy: -0.802
local terms energy: -60.461835
where:
bonds (distance) C4'-P energy: -9.546
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -14.890
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: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -178.312302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.312302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.312302 (E_RNA)
where:
Base-Base interactions energy: -111.409
where: short stacking energy: -45.213
Base-Backbone interact. energy: -0.025
local terms energy: -66.877692
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -17.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -169.177931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.177931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.177931 (E_RNA)
where:
Base-Base interactions energy: -111.962
where: short stacking energy: -37.077
Base-Backbone interact. energy: 0.184
local terms energy: -57.400640
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -16.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -140.541634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.541634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.541634 (E_RNA)
where:
Base-Base interactions energy: -90.570
where: short stacking energy: -31.917
Base-Backbone interact. energy: -0.615
local terms energy: -49.356191
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -10.889
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -7.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -170.405286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.405286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.405286 (E_RNA)
where:
Base-Base interactions energy: -112.437
where: short stacking energy: -42.701
Base-Backbone interact. energy: -0.177
local terms energy: -57.791470
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -9.892
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -6.602
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: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -80.308753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.308753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.308753 (E_RNA)
where:
Base-Base interactions energy: -37.785
where: short stacking energy: -27.417
Base-Backbone interact. energy: 0.594
local terms energy: -43.117492
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -64.903638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.903638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.903638 (E_RNA)
where:
Base-Base interactions energy: -17.464
where: short stacking energy: -17.464
Base-Backbone interact. energy: -0.026
local terms energy: -47.413613
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -69.559238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.559238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.559238 (E_RNA)
where:
Base-Base interactions energy: -32.399
where: short stacking energy: -18.002
Base-Backbone interact. energy: -0.242
local terms energy: -36.918426
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: 1.803
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: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -63.936929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.936929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.936929 (E_RNA)
where:
Base-Base interactions energy: -19.487
where: short stacking energy: -12.019
Base-Backbone interact. energy: -0.085
local terms energy: -44.364815
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: 0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -65.905161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.905161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.905161 (E_RNA)
where:
Base-Base interactions energy: -26.708
where: short stacking energy: -11.126
Base-Backbone interact. energy: 0.187
local terms energy: -39.384684
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -6.305
flat angles P-C4'-P energy: -9.053
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: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -184.993489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.993489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.993489 (E_RNA)
where:
Base-Base interactions energy: -121.000
where: short stacking energy: -49.739
Base-Backbone interact. energy: -0.016
local terms energy: -63.977730
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -18.451
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: 60
Temperature: 0.950000
Total energy: -177.431250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.431250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.431250 (E_RNA)
where:
Base-Base interactions energy: -114.672
where: short stacking energy: -46.337
Base-Backbone interact. energy: -0.402
local terms energy: -62.356771
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -171.663165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.663165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.663165 (E_RNA)
where:
Base-Base interactions energy: -114.301
where: short stacking energy: -44.903
Base-Backbone interact. energy: -0.760
local terms energy: -56.602760
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -13.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -161.851996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.851996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.851996 (E_RNA)
where:
Base-Base interactions energy: -111.472
where: short stacking energy: -32.115
Base-Backbone interact. energy: -1.906
local terms energy: -48.473828
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -6.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -159.805635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.805635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.805635 (E_RNA)
where:
Base-Base interactions energy: -102.700
where: short stacking energy: -42.500
Base-Backbone interact. energy: -0.013
local terms energy: -57.092799
where:
bonds (distance) C4'-P energy: -8.904
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -62.683593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.683593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.683593 (E_RNA)
where:
Base-Base interactions energy: -23.292
where: short stacking energy: -8.010
Base-Backbone interact. energy: -0.416
local terms energy: -38.975134
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -10.026
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: 2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -75.088484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.088484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.088484 (E_RNA)
where:
Base-Base interactions energy: -24.239
where: short stacking energy: -24.239
Base-Backbone interact. energy: -0.188
local terms energy: -50.661966
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -11.197
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: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -66.594869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.594869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.594869 (E_RNA)
where:
Base-Base interactions energy: -22.919
where: short stacking energy: -17.544
Base-Backbone interact. energy: -1.131
local terms energy: -42.544821
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -8.006
flat angles P-C4'-P energy: -7.404
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: 9, replica: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -62.168738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.168738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.168738 (E_RNA)
where:
Base-Base interactions energy: -26.277
where: short stacking energy: -14.018
Base-Backbone interact. energy: -0.292
local terms energy: -35.599788
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -8.880
flat angles P-C4'-P energy: -3.563
tors. eta vs tors. theta energy: -0.372
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: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -91.188485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.188485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.188485 (E_RNA)
where:
Base-Base interactions energy: -53.429
where: short stacking energy: -21.512
Base-Backbone interact. energy: -0.120
local terms energy: -37.639891
where:
bonds (distance) C4'-P energy: -4.392
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -7.155
flat angles P-C4'-P energy: -6.110
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: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -182.243608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.243608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.243608 (E_RNA)
where:
Base-Base interactions energy: -116.422
where: short stacking energy: -48.443
Base-Backbone interact. energy: -0.949
local terms energy: -64.872781
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -16.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -180.381901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.381901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.381901 (E_RNA)
where:
Base-Base interactions energy: -119.899
where: short stacking energy: -46.713
Base-Backbone interact. energy: -0.085
local terms energy: -60.398250
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -14.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -180.943739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.943739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.943739 (E_RNA)
where:
Base-Base interactions energy: -121.200
where: short stacking energy: -44.817
Base-Backbone interact. energy: -0.338
local terms energy: -59.406078
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -9.987
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -17.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -152.884617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.884617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.884617 (E_RNA)
where:
Base-Base interactions energy: -96.558
where: short stacking energy: -39.499
Base-Backbone interact. energy: 0.085
local terms energy: -56.411150
where:
bonds (distance) C4'-P energy: -8.486
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -14.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -147.605513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.605513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.605513 (E_RNA)
where:
Base-Base interactions energy: -99.728
where: short stacking energy: -32.095
Base-Backbone interact. energy: -0.629
local terms energy: -47.248642
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -9.594
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -9.661
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: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -79.110966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.110966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.110966 (E_RNA)
where:
Base-Base interactions energy: -38.004
where: short stacking energy: -13.587
Base-Backbone interact. energy: -0.986
local terms energy: -40.120766
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -9.993
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: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -79.613396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.613396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.613396 (E_RNA)
where:
Base-Base interactions energy: -33.375
where: short stacking energy: -20.186
Base-Backbone interact. energy: -0.970
local terms energy: -45.268064
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -3.056
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: 1
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -75.204629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.204629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.204629 (E_RNA)
where:
Base-Base interactions energy: -26.234
where: short stacking energy: -14.003
Base-Backbone interact. energy: -0.293
local terms energy: -48.677464
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -6.036
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: 9, replica: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -57.646494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.646494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.646494 (E_RNA)
where:
Base-Base interactions energy: -17.349
where: short stacking energy: -11.307
Base-Backbone interact. energy: -0.151
local terms energy: -40.146580
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -8.828
flat angles P-C4'-P energy: -4.516
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: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -60.910034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.910034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.910034 (E_RNA)
where:
Base-Base interactions energy: -23.819
where: short stacking energy: -13.614
Base-Backbone interact. energy: -0.078
local terms energy: -37.013036
where:
bonds (distance) C4'-P energy: -5.159
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -6.064
flat angles P-C4'-P energy: -10.582
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: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -184.538948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.538948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.538948 (E_RNA)
where:
Base-Base interactions energy: -118.778
where: short stacking energy: -53.989
Base-Backbone interact. energy: -0.684
local terms energy: -65.076411
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -11.598
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: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -178.323717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.323717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.323717 (E_RNA)
where:
Base-Base interactions energy: -115.864
where: short stacking energy: -45.400
Base-Backbone interact. energy: -0.038
local terms energy: -62.422103
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -18.591
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: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -166.981025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.981025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.981025 (E_RNA)
where:
Base-Base interactions energy: -103.753
where: short stacking energy: -43.208
Base-Backbone interact. energy: -0.015
local terms energy: -63.212801
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -167.069068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.069068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.069068 (E_RNA)
where:
Base-Base interactions energy: -103.948
where: short stacking energy: -40.704
Base-Backbone interact. energy: -0.001
local terms energy: -63.120481
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -135.431754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.431754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.431754 (E_RNA)
where:
Base-Base interactions energy: -78.883
where: short stacking energy: -33.604
Base-Backbone interact. energy: -0.053
local terms energy: -56.495775
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -10.943
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: 4
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -74.586409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.586409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.586409 (E_RNA)
where:
Base-Base interactions energy: -32.993
where: short stacking energy: -17.649
Base-Backbone interact. energy: 0.149
local terms energy: -41.742290
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -72.511285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.511285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.511285 (E_RNA)
where:
Base-Base interactions energy: -22.603
where: short stacking energy: -22.603
Base-Backbone interact. energy: -1.239
local terms energy: -48.669723
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -6.013
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: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -55.417318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.417318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.417318 (E_RNA)
where:
Base-Base interactions energy: -16.754
where: short stacking energy: -14.779
Base-Backbone interact. energy: -0.330
local terms energy: -38.333675
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -8.911
flat angles P-C4'-P energy: -4.529
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: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -58.606741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.606741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.606741 (E_RNA)
where:
Base-Base interactions energy: -23.228
where: short stacking energy: -6.525
Base-Backbone interact. energy: -0.616
local terms energy: -34.762113
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: 0.395
tors. eta vs tors. theta energy: -1.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -54.451210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.451210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.451210 (E_RNA)
where:
Base-Base interactions energy: -18.365
where: short stacking energy: -14.463
Base-Backbone interact. energy: -0.156
local terms energy: -35.930082
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -6.997
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: 0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -185.884821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.884821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.884821 (E_RNA)
where:
Base-Base interactions energy: -120.692
where: short stacking energy: -49.068
Base-Backbone interact. energy: -0.018
local terms energy: -65.175290
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -9.434
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -176.651641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.651641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.651641 (E_RNA)
where:
Base-Base interactions energy: -109.423
where: short stacking energy: -45.826
Base-Backbone interact. energy: -1.059
local terms energy: -66.169658
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -16.273
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: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -174.274373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.274373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.274373 (E_RNA)
where:
Base-Base interactions energy: -112.218
where: short stacking energy: -48.022
Base-Backbone interact. energy: -0.025
local terms energy: -62.031130
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -17.119
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: 4, replica: 7
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -174.240124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.240124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.240124 (E_RNA)
where:
Base-Base interactions energy: -112.242
where: short stacking energy: -47.045
Base-Backbone interact. energy: -0.011
local terms energy: -61.986820
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -10.540
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: 5, replica: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -171.970325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.970325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.970325 (E_RNA)
where:
Base-Base interactions energy: -110.875
where: short stacking energy: -44.678
Base-Backbone interact. energy: -0.106
local terms energy: -60.989071
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -72.524700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.524700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.524700 (E_RNA)
where:
Base-Base interactions energy: -29.713
where: short stacking energy: -24.785
Base-Backbone interact. energy: -0.360
local terms energy: -42.451652
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -5.437
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -3.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -66.210226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.210226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.210226 (E_RNA)
where:
Base-Base interactions energy: -22.051
where: short stacking energy: -19.026
Base-Backbone interact. energy: -0.145
local terms energy: -44.014287
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: 2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -81.525015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.525015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.525015 (E_RNA)
where:
Base-Base interactions energy: -44.706
where: short stacking energy: -9.430
Base-Backbone interact. energy: -0.265
local terms energy: -36.554163
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -4.268
tors. eta vs tors. theta energy: 4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -58.543968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.543968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.543968 (E_RNA)
where:
Base-Base interactions energy: -12.054
where: short stacking energy: -12.054
Base-Backbone interact. energy: -0.061
local terms energy: -46.429574
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -6.125
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: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -61.555988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.555988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.555988 (E_RNA)
where:
Base-Base interactions energy: -16.803
where: short stacking energy: -12.335
Base-Backbone interact. energy: -0.643
local terms energy: -44.110213
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -8.921
flat angles P-C4'-P energy: -9.337
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: 5
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -179.825726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.825726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.825726 (E_RNA)
where:
Base-Base interactions energy: -113.814
where: short stacking energy: -47.070
Base-Backbone interact. energy: -0.036
local terms energy: -65.975217
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -176.043758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.043758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.043758 (E_RNA)
where:
Base-Base interactions energy: -109.519
where: short stacking energy: -43.835
Base-Backbone interact. energy: -0.165
local terms energy: -66.358998
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -179.075851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.075851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.075851 (E_RNA)
where:
Base-Base interactions energy: -118.427
where: short stacking energy: -39.626
Base-Backbone interact. energy: -1.323
local terms energy: -59.325322
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -13.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -176.993957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.993957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.993957 (E_RNA)
where:
Base-Base interactions energy: -113.702
where: short stacking energy: -47.657
Base-Backbone interact. energy: -0.019
local terms energy: -63.273002
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -10.432
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: 5, replica: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -155.277785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.277785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.277785 (E_RNA)
where:
Base-Base interactions energy: -100.032
where: short stacking energy: -38.817
Base-Backbone interact. energy: -0.190
local terms energy: -55.055649
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -12.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -77.750048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.750048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.750048 (E_RNA)
where:
Base-Base interactions energy: -29.520
where: short stacking energy: -25.147
Base-Backbone interact. energy: -0.005
local terms energy: -48.224955
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -6.648
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -71.632519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.632519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.632519 (E_RNA)
where:
Base-Base interactions energy: -34.409
where: short stacking energy: -16.555
Base-Backbone interact. energy: -0.304
local terms energy: -36.918843
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -6.545
flat angles P-C4'-P energy: -6.609
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: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -66.000602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.000602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.000602 (E_RNA)
where:
Base-Base interactions energy: -23.267
where: short stacking energy: -22.257
Base-Backbone interact. energy: -0.289
local terms energy: -42.444756
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -7.777
flat angles P-C4'-P energy: -11.327
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: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -62.237580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.237580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.237580 (E_RNA)
where:
Base-Base interactions energy: -25.378
where: short stacking energy: -12.442
Base-Backbone interact. energy: -0.094
local terms energy: -36.766057
where:
bonds (distance) C4'-P energy: -8.598
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -64.876974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.876974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.876974 (E_RNA)
where:
Base-Base interactions energy: -22.525
where: short stacking energy: -15.563
Base-Backbone interact. energy: 0.368
local terms energy: -42.720244
where:
bonds (distance) C4'-P energy: -8.847
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -4.893
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: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -180.545118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.545118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.545118 (E_RNA)
where:
Base-Base interactions energy: -118.981
where: short stacking energy: -47.817
Base-Backbone interact. energy: -0.358
local terms energy: -61.206596
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -9.407
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: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -171.312589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.312589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.312589 (E_RNA)
where:
Base-Base interactions energy: -109.753
where: short stacking energy: -50.020
Base-Backbone interact. energy: -0.005
local terms energy: -61.553952
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -181.110066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.110066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.110066 (E_RNA)
where:
Base-Base interactions energy: -116.561
where: short stacking energy: -44.256
Base-Backbone interact. energy: -0.003
local terms energy: -64.546008
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -172.368866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.368866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.368866 (E_RNA)
where:
Base-Base interactions energy: -108.351
where: short stacking energy: -44.968
Base-Backbone interact. energy: -0.080
local terms energy: -63.936910
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -167.692938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.692938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.692938 (E_RNA)
where:
Base-Base interactions energy: -116.585
where: short stacking energy: -38.674
Base-Backbone interact. energy: -1.044
local terms energy: -50.063987
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -7.747
flat angles P-C4'-P energy: -3.953
tors. eta vs tors. theta energy: -12.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -102.342739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.342739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.342739 (E_RNA)
where:
Base-Base interactions energy: -59.439
where: short stacking energy: -25.353
Base-Backbone interact. energy: -0.079
local terms energy: -42.825383
where:
bonds (distance) C4'-P energy: -9.546
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -8.862
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -3.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -72.393896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.393896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.393896 (E_RNA)
where:
Base-Base interactions energy: -35.743
where: short stacking energy: -15.160
Base-Backbone interact. energy: 0.554
local terms energy: -37.205168
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -9.332
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: 1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -66.446425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.446425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.446425 (E_RNA)
where:
Base-Base interactions energy: -31.104
where: short stacking energy: -10.687
Base-Backbone interact. energy: -0.189
local terms energy: -35.153210
where:
bonds (distance) C4'-P energy: -6.144
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -0.469
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: 9, replica: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -69.046619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.046619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.046619 (E_RNA)
where:
Base-Base interactions energy: -20.038
where: short stacking energy: -19.813
Base-Backbone interact. energy: -0.000
local terms energy: -49.008749
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: -6.573
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: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -70.973555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.973555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.973555 (E_RNA)
where:
Base-Base interactions energy: -40.798
where: short stacking energy: -8.277
Base-Backbone interact. energy: -0.166
local terms energy: -30.009481
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -6.475
flat angles P-C4'-P energy: -0.925
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: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -183.578963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.578963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.578963 (E_RNA)
where:
Base-Base interactions energy: -122.316
where: short stacking energy: -45.107
Base-Backbone interact. energy: -0.003
local terms energy: -61.259840
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -13.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -178.062866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.062866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.062866 (E_RNA)
where:
Base-Base interactions energy: -113.480
where: short stacking energy: -45.265
Base-Backbone interact. energy: -0.003
local terms energy: -64.579815
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -10.803
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: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -173.136711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.136711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.136711 (E_RNA)
where:
Base-Base interactions energy: -118.074
where: short stacking energy: -43.987
Base-Backbone interact. energy: -0.092
local terms energy: -54.970988
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -8.453
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -141.024765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.024765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.024765 (E_RNA)
where:
Base-Base interactions energy: -84.950
where: short stacking energy: -37.112
Base-Backbone interact. energy: -0.188
local terms energy: -55.886768
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -13.389
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: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -141.284124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.284124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.284124 (E_RNA)
where:
Base-Base interactions energy: -91.094
where: short stacking energy: -34.661
Base-Backbone interact. energy: 1.426
local terms energy: -51.615227
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -3.726
tors. eta vs tors. theta energy: -11.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -74.341204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.341204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.341204 (E_RNA)
where:
Base-Base interactions energy: -35.500
where: short stacking energy: -16.380
Base-Backbone interact. energy: 0.394
local terms energy: -39.234752
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -7.946
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: 2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -68.118891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.118891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.118891 (E_RNA)
where:
Base-Base interactions energy: -19.161
where: short stacking energy: -14.454
Base-Backbone interact. energy: 0.547
local terms energy: -49.504921
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -7.419
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: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -65.245842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.245842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.245842 (E_RNA)
where:
Base-Base interactions energy: -29.288
where: short stacking energy: -14.156
Base-Backbone interact. energy: -0.757
local terms energy: -35.200646
where:
bonds (distance) C4'-P energy: -7.522
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -4.828
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -77.573831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.573831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.573831 (E_RNA)
where:
Base-Base interactions energy: -35.320
where: short stacking energy: -17.927
Base-Backbone interact. energy: -0.140
local terms energy: -42.113247
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -68.516249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.516249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.516249 (E_RNA)
where:
Base-Base interactions energy: -21.889
where: short stacking energy: -12.554
Base-Backbone interact. energy: -0.095
local terms energy: -46.532969
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -5.843
flat angles P-C4'-P energy: -7.051
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: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -182.716356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.716356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.716356 (E_RNA)
where:
Base-Base interactions energy: -123.442
where: short stacking energy: -47.098
Base-Backbone interact. energy: -0.255
local terms energy: -59.018640
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -176.278183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.278183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.278183 (E_RNA)
where:
Base-Base interactions energy: -115.132
where: short stacking energy: -45.304
Base-Backbone interact. energy: -0.001
local terms energy: -61.145289
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -177.844510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.844510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.844510 (E_RNA)
where:
Base-Base interactions energy: -111.291
where: short stacking energy: -48.672
Base-Backbone interact. energy: -0.013
local terms energy: -66.540522
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -8.036
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: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -172.938466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.938466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.938466 (E_RNA)
where:
Base-Base interactions energy: -114.850
where: short stacking energy: -46.087
Base-Backbone interact. energy: -0.020
local terms energy: -58.068276
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -7.891
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -16.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -152.492004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.492004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.492004 (E_RNA)
where:
Base-Base interactions energy: -101.056
where: short stacking energy: -42.763
Base-Backbone interact. energy: -0.102
local terms energy: -51.333462
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -5.796
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -68.918915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.918915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.918915 (E_RNA)
where:
Base-Base interactions energy: -27.415
where: short stacking energy: -21.658
Base-Backbone interact. energy: -0.051
local terms energy: -41.452729
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -4.386
tors. eta vs tors. theta energy: -2.199
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: 6
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -71.066949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.066949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.066949 (E_RNA)
where:
Base-Base interactions energy: -21.184
where: short stacking energy: -21.184
Base-Backbone interact. energy: -0.155
local terms energy: -49.727552
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -8.063
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -7.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -71.342293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.342293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.342293 (E_RNA)
where:
Base-Base interactions energy: -34.293
where: short stacking energy: -21.955
Base-Backbone interact. energy: 3.110
local terms energy: -40.159203
where:
bonds (distance) C4'-P energy: -5.255
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -61.231984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.231984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.231984 (E_RNA)
where:
Base-Base interactions energy: -19.456
where: short stacking energy: -13.549
Base-Backbone interact. energy: -0.209
local terms energy: -41.566362
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -9.718
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -9.165
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: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -67.852928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.852928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.852928 (E_RNA)
where:
Base-Base interactions energy: -29.160
where: short stacking energy: -9.487
Base-Backbone interact. energy: -0.453
local terms energy: -38.240528
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: 2.904
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: 1, replica: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -181.466201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.466201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.466201 (E_RNA)
where:
Base-Base interactions energy: -115.672
where: short stacking energy: -45.982
Base-Backbone interact. energy: -0.018
local terms energy: -65.776767
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -16.318
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: 5
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -179.662878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.662878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.662878 (E_RNA)
where:
Base-Base interactions energy: -113.772
where: short stacking energy: -42.496
Base-Backbone interact. energy: -0.001
local terms energy: -65.889919
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -15.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -171.296336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.296336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.296336 (E_RNA)
where:
Base-Base interactions energy: -114.718
where: short stacking energy: -46.799
Base-Backbone interact. energy: -0.006
local terms energy: -56.572286
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -16.443
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: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -170.174816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.174816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.174816 (E_RNA)
where:
Base-Base interactions energy: -112.221
where: short stacking energy: -49.978
Base-Backbone interact. energy: -0.037
local terms energy: -57.917146
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -14.459
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: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -142.900038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.900038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.900038 (E_RNA)
where:
Base-Base interactions energy: -88.887
where: short stacking energy: -30.063
Base-Backbone interact. energy: -0.082
local terms energy: -53.930540
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -86.750520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.750520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.750520 (E_RNA)
where:
Base-Base interactions energy: -44.371
where: short stacking energy: -18.056
Base-Backbone interact. energy: -0.157
local terms energy: -42.222059
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -76.293416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.293416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.293416 (E_RNA)
where:
Base-Base interactions energy: -30.560
where: short stacking energy: -18.266
Base-Backbone interact. energy: -0.085
local terms energy: -45.648170
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -61.856718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.856718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.856718 (E_RNA)
where:
Base-Base interactions energy: -22.361
where: short stacking energy: -9.705
Base-Backbone interact. energy: -0.106
local terms energy: -39.389965
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -63.737362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.737362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.737362 (E_RNA)
where:
Base-Base interactions energy: -23.383
where: short stacking energy: -15.379
Base-Backbone interact. energy: -0.250
local terms energy: -40.104173
where:
bonds (distance) C4'-P energy: -9.529
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -8.002
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: 10, replica: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -59.048993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.048993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.048993 (E_RNA)
where:
Base-Base interactions energy: -21.714
where: short stacking energy: -18.988
Base-Backbone interact. energy: -0.117
local terms energy: -37.217836
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -6.873
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -182.258081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.258081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.258081 (E_RNA)
where:
Base-Base interactions energy: -117.738
where: short stacking energy: -50.156
Base-Backbone interact. energy: -0.011
local terms energy: -64.508521
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -16.538
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: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -190.047525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.047525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.047525 (E_RNA)
where:
Base-Base interactions energy: -120.716
where: short stacking energy: -49.045
Base-Backbone interact. energy: -0.013
local terms energy: -69.318252
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -10.535
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: 3, replica: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -177.823829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.823829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.823829 (E_RNA)
where:
Base-Base interactions energy: -114.611
where: short stacking energy: -40.813
Base-Backbone interact. energy: -0.583
local terms energy: -62.629950
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -17.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -155.583181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.583181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.583181 (E_RNA)
where:
Base-Base interactions energy: -103.014
where: short stacking energy: -31.483
Base-Backbone interact. energy: 0.609
local terms energy: -53.177596
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -9.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -170.432127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.432127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.432127 (E_RNA)
where:
Base-Base interactions energy: -117.846
where: short stacking energy: -41.226
Base-Backbone interact. energy: -0.230
local terms energy: -52.355544
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -9.576
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: -18.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -70.176541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.176541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.176541 (E_RNA)
where:
Base-Base interactions energy: -22.887
where: short stacking energy: -19.687
Base-Backbone interact. energy: -0.092
local terms energy: -47.197613
where:
bonds (distance) C4'-P energy: -8.799
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -9.768
flat angles P-C4'-P energy: -9.939
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: 7, replica: 6
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -73.447961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.447961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.447961 (E_RNA)
where:
Base-Base interactions energy: -33.862
where: short stacking energy: -13.836
Base-Backbone interact. energy: 0.805
local terms energy: -40.391606
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -8.650
flat angles P-C4'-P energy: -8.349
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: 8, replica: 4
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -64.232913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.232913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.232913 (E_RNA)
where:
Base-Base interactions energy: -21.405
where: short stacking energy: -21.405
Base-Backbone interact. energy: -0.037
local terms energy: -42.791134
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -7.263
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -69.691576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.691576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.691576 (E_RNA)
where:
Base-Base interactions energy: -17.494
where: short stacking energy: -17.077
Base-Backbone interact. energy: -0.001
local terms energy: -52.196698
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -4.428
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: 10, replica: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -67.823520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.823520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.823520 (E_RNA)
where:
Base-Base interactions energy: -31.724
where: short stacking energy: -14.792
Base-Backbone interact. energy: -0.280
local terms energy: -35.819620
where:
bonds (distance) C4'-P energy: -6.237
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: 1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -176.158357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.158357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.158357 (E_RNA)
where:
Base-Base interactions energy: -118.379
where: short stacking energy: -48.886
Base-Backbone interact. energy: -0.044
local terms energy: -57.735448
where:
bonds (distance) C4'-P energy: -6.905
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -181.647545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.647545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.647545 (E_RNA)
where:
Base-Base interactions energy: -114.806
where: short stacking energy: -47.208
Base-Backbone interact. energy: -0.000
local terms energy: -66.840943
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -17.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -171.953305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.953305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.953305 (E_RNA)
where:
Base-Base interactions energy: -113.989
where: short stacking energy: -44.607
Base-Backbone interact. energy: -0.203
local terms energy: -57.761090
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -13.413
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -170.255589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.255589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.255589 (E_RNA)
where:
Base-Base interactions energy: -109.366
where: short stacking energy: -47.731
Base-Backbone interact. energy: -0.010
local terms energy: -60.879285
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -8.453
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: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -166.023069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.023069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.023069 (E_RNA)
where:
Base-Base interactions energy: -107.097
where: short stacking energy: -44.778
Base-Backbone interact. energy: -0.709
local terms energy: -58.217015
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -7.029
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -86.424475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.424475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.424475 (E_RNA)
where:
Base-Base interactions energy: -50.639
where: short stacking energy: -21.700
Base-Backbone interact. energy: -0.033
local terms energy: -35.752247
where:
bonds (distance) C4'-P energy: -6.386
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -0.385
tors. eta vs tors. theta energy: -4.397
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: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -73.423598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.423598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.423598 (E_RNA)
where:
Base-Base interactions energy: -29.355
where: short stacking energy: -12.372
Base-Backbone interact. energy: -0.407
local terms energy: -43.661430
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: 2.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -67.858674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.858674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.858674 (E_RNA)
where:
Base-Base interactions energy: -25.666
where: short stacking energy: -13.655
Base-Backbone interact. energy: 1.801
local terms energy: -43.993616
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -7.282
flat angles P-C4'-P energy: -10.435
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: 9, replica: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -81.278621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.278621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.278621 (E_RNA)
where:
Base-Base interactions energy: -33.055
where: short stacking energy: -18.332
Base-Backbone interact. energy: -0.032
local terms energy: -48.192388
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -4.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -56.251779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.251779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.251779 (E_RNA)
where:
Base-Base interactions energy: -12.709
where: short stacking energy: -11.271
Base-Backbone interact. energy: -0.112
local terms energy: -43.431446
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -6.740
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: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -181.044218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.044218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.044218 (E_RNA)
where:
Base-Base interactions energy: -115.982
where: short stacking energy: -48.574
Base-Backbone interact. energy: -0.016
local terms energy: -65.046677
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -15.591
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: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -176.329633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.329633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.329633 (E_RNA)
where:
Base-Base interactions energy: -108.440
where: short stacking energy: -38.585
Base-Backbone interact. energy: -0.076
local terms energy: -67.814051
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -16.716
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: 3, replica: 9
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -132.002545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.002545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.002545 (E_RNA)
where:
Base-Base interactions energy: -76.560
where: short stacking energy: -27.408
Base-Backbone interact. energy: -0.263
local terms energy: -55.179167
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -5.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -173.586205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.586205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.586205 (E_RNA)
where:
Base-Base interactions energy: -114.095
where: short stacking energy: -48.341
Base-Backbone interact. energy: -0.023
local terms energy: -59.468322
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -164.328894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.328894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.328894 (E_RNA)
where:
Base-Base interactions energy: -112.190
where: short stacking energy: -45.700
Base-Backbone interact. energy: -0.001
local terms energy: -52.137380
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -8.176
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -85.078564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.078564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.078564 (E_RNA)
where:
Base-Base interactions energy: -44.246
where: short stacking energy: -12.861
Base-Backbone interact. energy: -0.234
local terms energy: -40.598749
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -8.528
flat angles C4'-P-C4' energy: -7.794
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -64.109799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.109799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.109799 (E_RNA)
where:
Base-Base interactions energy: -20.512
where: short stacking energy: -20.512
Base-Backbone interact. energy: -0.127
local terms energy: -43.471083
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -7.490
flat angles P-C4'-P energy: -5.861
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: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -69.091579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.091579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.091579 (E_RNA)
where:
Base-Base interactions energy: -25.913
where: short stacking energy: -13.129
Base-Backbone interact. energy: -0.122
local terms energy: -43.056571
where:
bonds (distance) C4'-P energy: -9.190
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -69.171761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.171761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.171761 (E_RNA)
where:
Base-Base interactions energy: -39.565
where: short stacking energy: -7.256
Base-Backbone interact. energy: -0.093
local terms energy: -29.514224
where:
bonds (distance) C4'-P energy: -6.123
bonds (distance) P-C4' energy: -11.331
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -6.112
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: 71
Temperature: 1.350000
Total energy: -56.339879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.339879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.339879 (E_RNA)
where:
Base-Base interactions energy: -18.992
where: short stacking energy: -8.224
Base-Backbone interact. energy: -0.053
local terms energy: -37.295053
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: 2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -187.137722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.137722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.137722 (E_RNA)
where:
Base-Base interactions energy: -120.060
where: short stacking energy: -52.004
Base-Backbone interact. energy: -0.006
local terms energy: -67.072050
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -179.573375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.573375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.573375 (E_RNA)
where:
Base-Base interactions energy: -115.070
where: short stacking energy: -46.383
Base-Backbone interact. energy: -0.639
local terms energy: -63.864462
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -14.073
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -7.679
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: 3, replica: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -178.468921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.468921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.468921 (E_RNA)
where:
Base-Base interactions energy: -116.121
where: short stacking energy: -49.178
Base-Backbone interact. energy: -0.044
local terms energy: -62.303503
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -9.894
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: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -160.022396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.022396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.022396 (E_RNA)
where:
Base-Base interactions energy: -101.991
where: short stacking energy: -36.207
Base-Backbone interact. energy: -0.014
local terms energy: -58.017158
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -166.128484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.128484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.128484 (E_RNA)
where:
Base-Base interactions energy: -107.423
where: short stacking energy: -43.433
Base-Backbone interact. energy: 0.842
local terms energy: -59.547920
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -9.623
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -66.065889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.065889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.065889 (E_RNA)
where:
Base-Base interactions energy: -28.835
where: short stacking energy: -6.456
Base-Backbone interact. energy: -0.302
local terms energy: -36.929035
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -10.230
flat angles C4'-P-C4' energy: -6.354
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -0.566
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: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -88.481592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.481592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.481592 (E_RNA)
where:
Base-Base interactions energy: -46.079
where: short stacking energy: -16.133
Base-Backbone interact. energy: 0.140
local terms energy: -42.542637
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -6.617
flat angles P-C4'-P energy: -7.561
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: 8, replica: 4
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -70.567581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.567581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.567581 (E_RNA)
where:
Base-Base interactions energy: -24.576
where: short stacking energy: -24.576
Base-Backbone interact. energy: 0.333
local terms energy: -46.323717
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -78.316736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.316736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.316736 (E_RNA)
where:
Base-Base interactions energy: -31.489
where: short stacking energy: -28.595
Base-Backbone interact. energy: -1.140
local terms energy: -45.687397
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -4.036
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: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -59.309066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.309066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.309066 (E_RNA)
where:
Base-Base interactions energy: -22.991
where: short stacking energy: -5.948
Base-Backbone interact. energy: -0.144
local terms energy: -36.173475
where:
bonds (distance) C4'-P energy: -8.010
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -5.607
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: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -180.319317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.319317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.319317 (E_RNA)
where:
Base-Base interactions energy: -118.604
where: short stacking energy: -43.089
Base-Backbone interact. energy: -0.148
local terms energy: -61.567236
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -15.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -177.356856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.356856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.356856 (E_RNA)
where:
Base-Base interactions energy: -116.159
where: short stacking energy: -39.134
Base-Backbone interact. energy: -0.164
local terms energy: -61.034025
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -12.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -176.859620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.859620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.859620 (E_RNA)
where:
Base-Base interactions energy: -112.186
where: short stacking energy: -46.849
Base-Backbone interact. energy: -0.267
local terms energy: -64.405975
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -163.769625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.769625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.769625 (E_RNA)
where:
Base-Base interactions energy: -107.060
where: short stacking energy: -42.471
Base-Backbone interact. energy: -0.166
local terms energy: -56.544217
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -10.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -165.820927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.820927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.820927 (E_RNA)
where:
Base-Base interactions energy: -103.178
where: short stacking energy: -38.868
Base-Backbone interact. energy: -0.193
local terms energy: -62.448986
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -80.238241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.238241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.238241 (E_RNA)
where:
Base-Base interactions energy: -44.545
where: short stacking energy: -12.877
Base-Backbone interact. energy: -0.398
local terms energy: -35.295669
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -8.425
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: 2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -81.704414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.704414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.704414 (E_RNA)
where:
Base-Base interactions energy: -47.341
where: short stacking energy: -9.154
Base-Backbone interact. energy: 2.149
local terms energy: -36.512723
where:
bonds (distance) C4'-P energy: -9.860
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -7.441
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: 0.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -111.891840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.891840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.891840 (E_RNA)
where:
Base-Base interactions energy: -71.200
where: short stacking energy: -23.482
Base-Backbone interact. energy: -0.176
local terms energy: -40.516649
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -9.722
flat angles P-C4'-P energy: -0.373
tors. eta vs tors. theta energy: -6.175
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: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -59.776219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.776219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.776219 (E_RNA)
where:
Base-Base interactions energy: -25.992
where: short stacking energy: -9.609
Base-Backbone interact. energy: -1.047
local terms energy: -32.736994
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -7.846
flat angles P-C4'-P energy: -1.926
tors. eta vs tors. theta energy: -0.506
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: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -58.418645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.418645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.418645 (E_RNA)
where:
Base-Base interactions energy: -19.492
where: short stacking energy: -14.283
Base-Backbone interact. energy: 0.659
local terms energy: -39.586220
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: 3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -179.325496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.325496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.325496 (E_RNA)
where:
Base-Base interactions energy: -117.258
where: short stacking energy: -46.403
Base-Backbone interact. energy: -0.066
local terms energy: -62.001168
where:
bonds (distance) C4'-P energy: -8.908
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -15.874
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: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -176.073798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.073798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.073798 (E_RNA)
where:
Base-Base interactions energy: -112.166
where: short stacking energy: -42.195
Base-Backbone interact. energy: 1.167
local terms energy: -65.074897
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -170.743707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.743707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.743707 (E_RNA)
where:
Base-Base interactions energy: -114.271
where: short stacking energy: -47.457
Base-Backbone interact. energy: -0.173
local terms energy: -56.299687
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -10.223
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -14.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -174.980324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.980324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.980324 (E_RNA)
where:
Base-Base interactions energy: -113.880
where: short stacking energy: -47.536
Base-Backbone interact. energy: -0.413
local terms energy: -60.687092
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -16.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -147.992380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.992380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.992380 (E_RNA)
where:
Base-Base interactions energy: -102.377
where: short stacking energy: -35.796
Base-Backbone interact. energy: -0.745
local terms energy: -44.870098
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -5.578
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -8.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -96.385342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.385342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.385342 (E_RNA)
where:
Base-Base interactions energy: -49.582
where: short stacking energy: -17.943
Base-Backbone interact. energy: -0.185
local terms energy: -46.618875
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -8.547
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: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -120.544388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.544388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.544388 (E_RNA)
where:
Base-Base interactions energy: -65.021
where: short stacking energy: -24.678
Base-Backbone interact. energy: 0.673
local terms energy: -56.196518
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -9.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -69.275864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.275864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.275864 (E_RNA)
where:
Base-Base interactions energy: -40.382
where: short stacking energy: -14.170
Base-Backbone interact. energy: 2.207
local terms energy: -31.100833
where:
bonds (distance) C4'-P energy: -6.572
bonds (distance) P-C4' energy: -6.162
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -7.734
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: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -73.761605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.761605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.761605 (E_RNA)
where:
Base-Base interactions energy: -36.169
where: short stacking energy: -23.770
Base-Backbone interact. energy: -0.012
local terms energy: -37.580861
where:
bonds (distance) C4'-P energy: -7.807
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -2.295
tors. eta vs tors. theta energy: -4.700
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: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -53.780776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.780776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.780776 (E_RNA)
where:
Base-Base interactions energy: -17.458
where: short stacking energy: -14.214
Base-Backbone interact. energy: -0.238
local terms energy: -36.084865
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -4.736
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: 0.797
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: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -181.499804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.499804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.499804 (E_RNA)
where:
Base-Base interactions energy: -116.482
where: short stacking energy: -44.121
Base-Backbone interact. energy: -0.000
local terms energy: -65.017648
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -8.982
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: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -178.711928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.711928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.711928 (E_RNA)
where:
Base-Base interactions energy: -116.400
where: short stacking energy: -49.593
Base-Backbone interact. energy: -0.002
local terms energy: -62.309752
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -174.942912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.942912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.942912 (E_RNA)
where:
Base-Base interactions energy: -110.627
where: short stacking energy: -42.489
Base-Backbone interact. energy: -0.004
local terms energy: -64.311427
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -172.011343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.011343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.011343 (E_RNA)
where:
Base-Base interactions energy: -108.728
where: short stacking energy: -46.534
Base-Backbone interact. energy: -0.000
local terms energy: -63.283210
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -15.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -162.861227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.861227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.861227 (E_RNA)
where:
Base-Base interactions energy: -109.202
where: short stacking energy: -43.001
Base-Backbone interact. energy: -1.074
local terms energy: -52.585444
where:
bonds (distance) C4'-P energy: -6.730
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -14.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -76.303328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.303328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.303328 (E_RNA)
where:
Base-Base interactions energy: -29.280
where: short stacking energy: -20.731
Base-Backbone interact. energy: -0.358
local terms energy: -46.665181
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -1.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -76.940584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.940584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.940584 (E_RNA)
where:
Base-Base interactions energy: -41.986
where: short stacking energy: -18.913
Base-Backbone interact. energy: -0.134
local terms energy: -34.820820
where:
bonds (distance) C4'-P energy: -7.134
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -86.115877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.115877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.115877 (E_RNA)
where:
Base-Base interactions energy: -43.162
where: short stacking energy: -24.770
Base-Backbone interact. energy: -0.016
local terms energy: -42.937903
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -4.538
tors. eta vs tors. theta energy: -4.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -77.251407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.251407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.251407 (E_RNA)
where:
Base-Base interactions energy: -38.236
where: short stacking energy: -13.796
Base-Backbone interact. energy: -1.544
local terms energy: -37.470486
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -7.161
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: 1.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -56.030611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.030611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.030611 (E_RNA)
where:
Base-Base interactions energy: -17.811
where: short stacking energy: -17.811
Base-Backbone interact. energy: -0.245
local terms energy: -37.974691
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -5.280
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: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -178.037323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.037323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.037323 (E_RNA)
where:
Base-Base interactions energy: -121.503
where: short stacking energy: -48.812
Base-Backbone interact. energy: -0.062
local terms energy: -56.472823
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -7.480
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -8.937
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: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -179.748133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.748133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.748133 (E_RNA)
where:
Base-Base interactions energy: -115.757
where: short stacking energy: -44.286
Base-Backbone interact. energy: -0.006
local terms energy: -63.985741
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -177.421564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.421564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.421564 (E_RNA)
where:
Base-Base interactions energy: -121.100
where: short stacking energy: -51.118
Base-Backbone interact. energy: -0.051
local terms energy: -56.270619
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -7.166
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -173.622162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.622162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.622162 (E_RNA)
where:
Base-Base interactions energy: -106.481
where: short stacking energy: -42.601
Base-Backbone interact. energy: -0.080
local terms energy: -67.061652
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -166.733067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.733067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.733067 (E_RNA)
where:
Base-Base interactions energy: -107.101
where: short stacking energy: -38.964
Base-Backbone interact. energy: -0.646
local terms energy: -58.986043
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -13.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -69.471178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.471178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.471178 (E_RNA)
where:
Base-Base interactions energy: -29.859
where: short stacking energy: -17.238
Base-Backbone interact. energy: -0.604
local terms energy: -39.007726
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -7.597
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: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -118.713800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.713800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.713800 (E_RNA)
where:
Base-Base interactions energy: -74.909
where: short stacking energy: -15.077
Base-Backbone interact. energy: -0.172
local terms energy: -43.632048
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -6.703
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -71.940623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.940623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.940623 (E_RNA)
where:
Base-Base interactions energy: -26.309
where: short stacking energy: -18.391
Base-Backbone interact. energy: 1.120
local terms energy: -46.751658
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -9.059
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -6.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -57.505218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.505218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.505218 (E_RNA)
where:
Base-Base interactions energy: -16.684
where: short stacking energy: -16.684
Base-Backbone interact. energy: -0.112
local terms energy: -40.709162
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -8.707
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -8.266
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: 10, replica: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -57.085654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.085654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.085654 (E_RNA)
where:
Base-Base interactions energy: -24.961
where: short stacking energy: -16.328
Base-Backbone interact. energy: -0.528
local terms energy: -31.596933
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -8.738
flat angles C4'-P-C4' energy: -3.098
flat angles P-C4'-P energy: -8.040
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: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -182.307015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.307015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.307015 (E_RNA)
where:
Base-Base interactions energy: -117.980
where: short stacking energy: -47.467
Base-Backbone interact. energy: -0.047
local terms energy: -64.280273
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -180.362506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.362506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.362506 (E_RNA)
where:
Base-Base interactions energy: -123.277
where: short stacking energy: -43.778
Base-Backbone interact. energy: -0.050
local terms energy: -57.035752
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -163.162822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.162822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.162822 (E_RNA)
where:
Base-Base interactions energy: -104.270
where: short stacking energy: -42.051
Base-Backbone interact. energy: -0.041
local terms energy: -58.851025
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -6.763
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: 4, replica: 2
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -174.865032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.865032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.865032 (E_RNA)
where:
Base-Base interactions energy: -113.258
where: short stacking energy: -47.513
Base-Backbone interact. energy: 2.592
local terms energy: -64.198436
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -164.406759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.406759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.406759 (E_RNA)
where:
Base-Base interactions energy: -114.516
where: short stacking energy: -44.372
Base-Backbone interact. energy: -0.001
local terms energy: -49.889808
where:
bonds (distance) C4'-P energy: -7.989
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -3.466
tors. eta vs tors. theta energy: -15.815
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: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -125.197188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.197188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.197188 (E_RNA)
where:
Base-Base interactions energy: -76.524
where: short stacking energy: -26.615
Base-Backbone interact. energy: -0.081
local terms energy: -48.592776
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -9.631
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -74.377882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.377882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.377882 (E_RNA)
where:
Base-Base interactions energy: -18.205
where: short stacking energy: -16.615
Base-Backbone interact. energy: -0.004
local terms energy: -56.168530
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -6.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -74.030094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.030094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.030094 (E_RNA)
where:
Base-Base interactions energy: -37.578
where: short stacking energy: -12.343
Base-Backbone interact. energy: -0.124
local terms energy: -36.328433
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -3.543
tors. eta vs tors. theta energy: 0.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -60.928174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.928174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.928174 (E_RNA)
where:
Base-Base interactions energy: -14.354
where: short stacking energy: -10.620
Base-Backbone interact. energy: -0.006
local terms energy: -46.568495
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -67.710159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.710159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.710159 (E_RNA)
where:
Base-Base interactions energy: -27.127
where: short stacking energy: -13.873
Base-Backbone interact. energy: -0.177
local terms energy: -40.406762
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -2.171
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: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -175.672266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.672266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.672266 (E_RNA)
where:
Base-Base interactions energy: -114.607
where: short stacking energy: -47.111
Base-Backbone interact. energy: -0.487
local terms energy: -60.578358
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -14.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -183.754125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.754125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.754125 (E_RNA)
where:
Base-Base interactions energy: -121.972
where: short stacking energy: -41.427
Base-Backbone interact. energy: -0.217
local terms energy: -61.565061
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -10.061
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: 3, replica: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -178.399657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.399657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.399657 (E_RNA)
where:
Base-Base interactions energy: -115.297
where: short stacking energy: -43.469
Base-Backbone interact. energy: -0.045
local terms energy: -63.057826
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -162.156878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.156878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.156878 (E_RNA)
where:
Base-Base interactions energy: -110.024
where: short stacking energy: -32.374
Base-Backbone interact. energy: 0.008
local terms energy: -52.141249
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -9.604
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -9.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -176.061024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.061024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.061024 (E_RNA)
where:
Base-Base interactions energy: -114.242
where: short stacking energy: -47.002
Base-Backbone interact. energy: -0.033
local terms energy: -61.786125
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -17.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -146.718447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.718447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.718447 (E_RNA)
where:
Base-Base interactions energy: -99.065
where: short stacking energy: -35.612
Base-Backbone interact. energy: -0.001
local terms energy: -47.652302
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -7.531
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -11.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -77.253004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.253004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.253004 (E_RNA)
where:
Base-Base interactions energy: -32.639
where: short stacking energy: -15.996
Base-Backbone interact. energy: -0.320
local terms energy: -44.294562
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -1.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -69.127986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.127986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.127986 (E_RNA)
where:
Base-Base interactions energy: -35.335
where: short stacking energy: -13.031
Base-Backbone interact. energy: 0.328
local terms energy: -34.120377
where:
bonds (distance) C4'-P energy: -8.247
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -3.918
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: 1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -60.726018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.726018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.726018 (E_RNA)
where:
Base-Base interactions energy: -25.892
where: short stacking energy: -12.527
Base-Backbone interact. energy: 0.394
local terms energy: -35.228460
where:
bonds (distance) C4'-P energy: -7.621
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -5.457
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: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -55.467740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.467740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.467740 (E_RNA)
where:
Base-Base interactions energy: -11.978
where: short stacking energy: -11.978
Base-Backbone interact. energy: -0.004
local terms energy: -43.486063
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -175.208809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.208809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.208809 (E_RNA)
where:
Base-Base interactions energy: -113.243
where: short stacking energy: -42.309
Base-Backbone interact. energy: -0.146
local terms energy: -61.819558
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -12.425
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: 2, replica: 2
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -173.136890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.136890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.136890 (E_RNA)
where:
Base-Base interactions energy: -112.921
where: short stacking energy: -39.468
Base-Backbone interact. energy: -0.397
local terms energy: -59.818774
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -171.842331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.842331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.842331 (E_RNA)
where:
Base-Base interactions energy: -111.827
where: short stacking energy: -43.828
Base-Backbone interact. energy: -0.002
local terms energy: -60.013223
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -10.438
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: 4, replica: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -173.680473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.680473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.680473 (E_RNA)
where:
Base-Base interactions energy: -115.712
where: short stacking energy: -45.655
Base-Backbone interact. energy: -0.006
local terms energy: -57.962279
where:
bonds (distance) C4'-P energy: -8.369
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -15.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -154.114851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.114851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.114851 (E_RNA)
where:
Base-Base interactions energy: -95.826
where: short stacking energy: -29.191
Base-Backbone interact. energy: -0.118
local terms energy: -58.171000
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -13.713
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: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -159.774008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.774008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.774008 (E_RNA)
where:
Base-Base interactions energy: -100.780
where: short stacking energy: -42.135
Base-Backbone interact. energy: -0.053
local terms energy: -58.940841
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -13.257
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: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -58.941321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.941321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.941321 (E_RNA)
where:
Base-Base interactions energy: -21.857
where: short stacking energy: -5.487
Base-Backbone interact. energy: 1.669
local terms energy: -38.753868
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -8.700
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: 4.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -58.323009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.323009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.323009 (E_RNA)
where:
Base-Base interactions energy: -15.606
where: short stacking energy: -12.978
Base-Backbone interact. energy: -0.911
local terms energy: -41.806338
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -6.821
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -0.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -67.134814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.134814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.134814 (E_RNA)
where:
Base-Base interactions energy: -24.276
where: short stacking energy: -16.224
Base-Backbone interact. energy: -0.078
local terms energy: -42.780534
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -9.492
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -54.062480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.062480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.062480 (E_RNA)
where:
Base-Base interactions energy: -19.056
where: short stacking energy: -10.524
Base-Backbone interact. energy: 0.042
local terms energy: -35.048443
where:
bonds (distance) C4'-P energy: -8.597
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -9.572
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: 0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -182.706706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.706706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.706706 (E_RNA)
where:
Base-Base interactions energy: -118.671
where: short stacking energy: -41.791
Base-Backbone interact. energy: -0.874
local terms energy: -63.161379
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -16.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -178.248316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.248316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.248316 (E_RNA)
where:
Base-Base interactions energy: -114.507
where: short stacking energy: -45.679
Base-Backbone interact. energy: -0.494
local terms energy: -63.247731
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -177.909205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.909205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.909205 (E_RNA)
where:
Base-Base interactions energy: -113.682
where: short stacking energy: -50.808
Base-Backbone interact. energy: -0.614
local terms energy: -63.612847
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -175.238841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.238841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.238841 (E_RNA)
where:
Base-Base interactions energy: -113.808
where: short stacking energy: -49.484
Base-Backbone interact. energy: 1.436
local terms energy: -62.866437
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -162.194703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.194703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.194703 (E_RNA)
where:
Base-Base interactions energy: -106.240
where: short stacking energy: -39.684
Base-Backbone interact. energy: -0.001
local terms energy: -55.953687
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -12.271
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: 80
Temperature: 1.150000
Total energy: -147.733590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.733590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.733590 (E_RNA)
where:
Base-Base interactions energy: -94.385
where: short stacking energy: -32.958
Base-Backbone interact. energy: -0.198
local terms energy: -53.151273
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -10.649
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: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -67.660461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.660461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.660461 (E_RNA)
where:
Base-Base interactions energy: -25.542
where: short stacking energy: -8.236
Base-Backbone interact. energy: -1.009
local terms energy: -41.109260
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: 0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -72.179673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.179673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.179673 (E_RNA)
where:
Base-Base interactions energy: -35.058
where: short stacking energy: -18.769
Base-Backbone interact. energy: -0.407
local terms energy: -36.713889
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -6.851
flat angles P-C4'-P energy: -5.752
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: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -55.583916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.583916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.583916 (E_RNA)
where:
Base-Base interactions energy: -16.759
where: short stacking energy: -8.087
Base-Backbone interact. energy: -0.115
local terms energy: -38.709063
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -6.274
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: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -56.025219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.025219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.025219 (E_RNA)
where:
Base-Base interactions energy: -22.150
where: short stacking energy: -17.785
Base-Backbone interact. energy: -0.081
local terms energy: -33.793766
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -9.844
flat angles C4'-P-C4' energy: -9.290
flat angles P-C4'-P energy: -3.570
tors. eta vs tors. theta energy: 1.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -187.228746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.228746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.228746 (E_RNA)
where:
Base-Base interactions energy: -120.049
where: short stacking energy: -48.445
Base-Backbone interact. energy: -0.003
local terms energy: -67.176131
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -10.756
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: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -179.636255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.636255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.636255 (E_RNA)
where:
Base-Base interactions energy: -115.551
where: short stacking energy: -45.923
Base-Backbone interact. energy: -0.639
local terms energy: -63.445597
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -17.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -172.658176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.658176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.658176 (E_RNA)
where:
Base-Base interactions energy: -108.879
where: short stacking energy: -43.039
Base-Backbone interact. energy: -0.867
local terms energy: -62.912083
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -166.990698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.990698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.990698 (E_RNA)
where:
Base-Base interactions energy: -113.347
where: short stacking energy: -46.684
Base-Backbone interact. energy: -0.004
local terms energy: -53.640468
where:
bonds (distance) C4'-P energy: -7.313
bonds (distance) P-C4' energy: -8.890
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -15.232
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: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -168.062495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.062495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.062495 (E_RNA)
where:
Base-Base interactions energy: -111.403
where: short stacking energy: -42.709
Base-Backbone interact. energy: -0.318
local terms energy: -56.341825
where:
bonds (distance) C4'-P energy: -7.928
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -8.373
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: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -157.509029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.509029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.509029 (E_RNA)
where:
Base-Base interactions energy: -101.787
where: short stacking energy: -41.790
Base-Backbone interact. energy: -0.082
local terms energy: -55.640552
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -3.250
tors. eta vs tors. theta energy: -14.702
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: 7, replica: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -72.422763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.422763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.422763 (E_RNA)
where:
Base-Base interactions energy: -31.848
where: short stacking energy: -14.535
Base-Backbone interact. energy: -0.059
local terms energy: -40.515831
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: 0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -53.977795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.977795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.977795 (E_RNA)
where:
Base-Base interactions energy: -14.634
where: short stacking energy: -9.978
Base-Backbone interact. energy: -0.292
local terms energy: -39.051390
where:
bonds (distance) C4'-P energy: -9.145
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -60.016866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.016866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.016866 (E_RNA)
where:
Base-Base interactions energy: -30.017
where: short stacking energy: -17.083
Base-Backbone interact. energy: -0.350
local terms energy: -29.649674
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -5.485
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: 1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -60.820884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.820884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.820884 (E_RNA)
where:
Base-Base interactions energy: -22.387
where: short stacking energy: -22.387
Base-Backbone interact. energy: 2.152
local terms energy: -40.585990
where:
bonds (distance) C4'-P energy: -7.865
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -5.083
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: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -178.745595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.745595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.745595 (E_RNA)
where:
Base-Base interactions energy: -113.258
where: short stacking energy: -46.459
Base-Backbone interact. energy: -0.007
local terms energy: -65.480732
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -10.226
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: 82
Temperature: 0.950000
Total energy: -172.515949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.515949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.515949 (E_RNA)
where:
Base-Base interactions energy: -114.532
where: short stacking energy: -41.293
Base-Backbone interact. energy: -0.230
local terms energy: -57.753408
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -15.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -166.913840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.913840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.913840 (E_RNA)
where:
Base-Base interactions energy: -107.929
where: short stacking energy: -41.798
Base-Backbone interact. energy: -0.002
local terms energy: -58.982904
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -168.923305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.923305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.923305 (E_RNA)
where:
Base-Base interactions energy: -109.380
where: short stacking energy: -41.585
Base-Backbone interact. energy: -0.001
local terms energy: -59.542442
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -13.213
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: 5, replica: 7
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -168.900938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.900938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.900938 (E_RNA)
where:
Base-Base interactions energy: -108.606
where: short stacking energy: -48.131
Base-Backbone interact. energy: -0.006
local terms energy: -60.288855
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -11.326
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: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -160.228308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.228308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.228308 (E_RNA)
where:
Base-Base interactions energy: -106.296
where: short stacking energy: -36.107
Base-Backbone interact. energy: -0.142
local terms energy: -53.790371
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -8.670
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -72.609689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.609689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.609689 (E_RNA)
where:
Base-Base interactions energy: -28.506
where: short stacking energy: -17.036
Base-Backbone interact. energy: -0.323
local terms energy: -43.781105
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -4.409
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: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -62.952107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.952107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.952107 (E_RNA)
where:
Base-Base interactions energy: -19.283
where: short stacking energy: -7.743
Base-Backbone interact. energy: -0.230
local terms energy: -43.438331
where:
bonds (distance) C4'-P energy: -7.397
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -75.508284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.508284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.508284 (E_RNA)
where:
Base-Base interactions energy: -39.227
where: short stacking energy: -21.855
Base-Backbone interact. energy: -0.137
local terms energy: -36.143919
where:
bonds (distance) C4'-P energy: -7.508
bonds (distance) P-C4' energy: -10.056
flat angles C4'-P-C4' energy: -9.673
flat angles P-C4'-P energy: -2.325
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -56.521124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.521124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.521124 (E_RNA)
where:
Base-Base interactions energy: -20.314
where: short stacking energy: -8.729
Base-Backbone interact. energy: 0.302
local terms energy: -36.508310
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -8.256
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: 2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -181.689744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.689744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.689744 (E_RNA)
where:
Base-Base interactions energy: -118.757
where: short stacking energy: -49.928
Base-Backbone interact. energy: -0.006
local terms energy: -62.927134
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -179.264495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.264495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.264495 (E_RNA)
where:
Base-Base interactions energy: -117.804
where: short stacking energy: -45.199
Base-Backbone interact. energy: -0.579
local terms energy: -60.881730
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -173.620998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.620998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.620998 (E_RNA)
where:
Base-Base interactions energy: -114.479
where: short stacking energy: -49.386
Base-Backbone interact. energy: -0.036
local terms energy: -59.105501
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -171.995269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.995269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.995269 (E_RNA)
where:
Base-Base interactions energy: -116.590
where: short stacking energy: -38.692
Base-Backbone interact. energy: -0.863
local terms energy: -54.542140
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -9.518
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -8.465
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: 5, replica: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -162.722567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.722567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.722567 (E_RNA)
where:
Base-Base interactions energy: -111.611
where: short stacking energy: -37.384
Base-Backbone interact. energy: -0.082
local terms energy: -51.029856
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -6.455
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -12.389
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: 83
Temperature: 1.150000
Total energy: -158.668498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.668498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.668498 (E_RNA)
where:
Base-Base interactions energy: -106.671
where: short stacking energy: -32.171
Base-Backbone interact. energy: -0.136
local terms energy: -51.862398
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -11.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -64.162138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.162138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.162138 (E_RNA)
where:
Base-Base interactions energy: -24.827
where: short stacking energy: -7.076
Base-Backbone interact. energy: -0.421
local terms energy: -38.914455
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: 5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -65.520721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.520721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.520721 (E_RNA)
where:
Base-Base interactions energy: -27.255
where: short stacking energy: -20.506
Base-Backbone interact. energy: -0.080
local terms energy: -38.185462
where:
bonds (distance) C4'-P energy: -7.825
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -6.051
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: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -60.991770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.991770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.991770 (E_RNA)
where:
Base-Base interactions energy: -15.000
where: short stacking energy: -15.000
Base-Backbone interact. energy: -0.505
local terms energy: -45.486014
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -9.756
flat angles P-C4'-P energy: -7.893
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: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -63.081322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.081322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.081322 (E_RNA)
where:
Base-Base interactions energy: -21.174
where: short stacking energy: -7.041
Base-Backbone interact. energy: -0.141
local terms energy: -41.766251
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -7.374
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: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -179.366808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.366808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.366808 (E_RNA)
where:
Base-Base interactions energy: -116.199
where: short stacking energy: -40.650
Base-Backbone interact. energy: -0.048
local terms energy: -63.120360
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -177.950597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.950597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.950597 (E_RNA)
where:
Base-Base interactions energy: -116.756
where: short stacking energy: -49.819
Base-Backbone interact. energy: -0.622
local terms energy: -60.573086
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -18.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -169.812834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.812834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.812834 (E_RNA)
where:
Base-Base interactions energy: -106.099
where: short stacking energy: -45.398
Base-Backbone interact. energy: -0.010
local terms energy: -63.703752
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -177.964948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.964948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.964948 (E_RNA)
where:
Base-Base interactions energy: -119.440
where: short stacking energy: -45.657
Base-Backbone interact. energy: -0.062
local terms energy: -58.462566
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -15.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -164.439962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.439962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.439962 (E_RNA)
where:
Base-Base interactions energy: -108.421
where: short stacking energy: -41.684
Base-Backbone interact. energy: -0.876
local terms energy: -55.142590
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -13.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -147.444213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.444213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.444213 (E_RNA)
where:
Base-Base interactions energy: -96.923
where: short stacking energy: -37.653
Base-Backbone interact. energy: -0.004
local terms energy: -50.516615
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -8.908
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -10.518
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: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -71.756755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.756755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.756755 (E_RNA)
where:
Base-Base interactions energy: -30.241
where: short stacking energy: -17.002
Base-Backbone interact. energy: -0.031
local terms energy: -41.484398
where:
bonds (distance) C4'-P energy: -7.163
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -60.043528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.043528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.043528 (E_RNA)
where:
Base-Base interactions energy: -24.231
where: short stacking energy: -7.610
Base-Backbone interact. energy: -0.244
local terms energy: -35.568005
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -8.174
flat angles P-C4'-P energy: -6.136
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -78.115555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.115555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.115555 (E_RNA)
where:
Base-Base interactions energy: -37.106
where: short stacking energy: -21.716
Base-Backbone interact. energy: -0.140
local terms energy: -40.868808
where:
bonds (distance) C4'-P energy: -8.143
bonds (distance) P-C4' energy: -10.155
flat angles C4'-P-C4' energy: -9.617
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -6.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -61.046570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.046570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.046570 (E_RNA)
where:
Base-Base interactions energy: -15.491
where: short stacking energy: -15.491
Base-Backbone interact. energy: -0.000
local terms energy: -45.555689
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -9.168
flat angles C4'-P-C4' energy: -9.191
flat angles P-C4'-P energy: -9.415
tors. eta vs tors. theta energy: -6.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -177.950334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.950334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.950334 (E_RNA)
where:
Base-Base interactions energy: -117.050
where: short stacking energy: -47.174
Base-Backbone interact. energy: -0.085
local terms energy: -60.815237
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -12.947
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: 2, replica: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -175.841603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.841603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.841603 (E_RNA)
where:
Base-Base interactions energy: -115.739
where: short stacking energy: -45.799
Base-Backbone interact. energy: -0.026
local terms energy: -60.076052
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -8.697
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: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -174.065470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.065470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.065470 (E_RNA)
where:
Base-Base interactions energy: -111.978
where: short stacking energy: -43.647
Base-Backbone interact. energy: -0.121
local terms energy: -61.966853
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -7.210
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: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -168.650496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.650496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.650496 (E_RNA)
where:
Base-Base interactions energy: -108.289
where: short stacking energy: -36.161
Base-Backbone interact. energy: -0.007
local terms energy: -60.354409
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -165.536856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.536856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.536856 (E_RNA)
where:
Base-Base interactions energy: -110.747
where: short stacking energy: -42.166
Base-Backbone interact. energy: -0.086
local terms energy: -54.703696
where:
bonds (distance) C4'-P energy: -9.033
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -10.671
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -12.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -117.403542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.403542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.403542 (E_RNA)
where:
Base-Base interactions energy: -65.030
where: short stacking energy: -24.262
Base-Backbone interact. energy: -0.155
local terms energy: -52.219117
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -10.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -63.691470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.691470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.691470 (E_RNA)
where:
Base-Base interactions energy: -18.658
where: short stacking energy: -18.658
Base-Backbone interact. energy: -0.207
local terms energy: -44.825998
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -1.618
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: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -74.730097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.730097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.730097 (E_RNA)
where:
Base-Base interactions energy: -32.014
where: short stacking energy: -24.469
Base-Backbone interact. energy: 1.151
local terms energy: -43.866278
where:
bonds (distance) C4'-P energy: -7.116
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -9.271
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: 9, replica: 1
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -60.807101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.807101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.807101 (E_RNA)
where:
Base-Base interactions energy: -19.818
where: short stacking energy: -19.818
Base-Backbone interact. energy: -0.008
local terms energy: -40.981563
where:
bonds (distance) C4'-P energy: -8.876
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -8.815
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -60.219493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.219493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.219493 (E_RNA)
where:
Base-Base interactions energy: -21.598
where: short stacking energy: -14.076
Base-Backbone interact. energy: -0.428
local terms energy: -38.193592
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: 3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -186.103448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.103448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.103448 (E_RNA)
where:
Base-Base interactions energy: -118.922
where: short stacking energy: -48.483
Base-Backbone interact. energy: -0.002
local terms energy: -67.179663
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -180.187756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.187756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.187756 (E_RNA)
where:
Base-Base interactions energy: -116.774
where: short stacking energy: -46.669
Base-Backbone interact. energy: -0.028
local terms energy: -63.386107
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -6.092
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: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -180.700955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.700955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.700955 (E_RNA)
where:
Base-Base interactions energy: -120.001
where: short stacking energy: -45.298
Base-Backbone interact. energy: -0.000
local terms energy: -60.699349
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -4.603
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -171.747751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.747751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.747751 (E_RNA)
where:
Base-Base interactions energy: -109.265
where: short stacking energy: -48.745
Base-Backbone interact. energy: -0.592
local terms energy: -61.890679
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -7.176
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -172.748131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.748131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.748131 (E_RNA)
where:
Base-Base interactions energy: -110.314
where: short stacking energy: -41.684
Base-Backbone interact. energy: -0.096
local terms energy: -62.338252
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -11.664
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: 9
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -154.750759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.750759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.750759 (E_RNA)
where:
Base-Base interactions energy: -103.259
where: short stacking energy: -41.007
Base-Backbone interact. energy: -0.019
local terms energy: -51.472160
where:
bonds (distance) C4'-P energy: -8.937
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -13.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -78.072844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.072844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.072844 (E_RNA)
where:
Base-Base interactions energy: -38.646
where: short stacking energy: -19.296
Base-Backbone interact. energy: -0.197
local terms energy: -39.229858
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -6.872
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -3.172
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: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -71.594849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.594849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.594849 (E_RNA)
where:
Base-Base interactions energy: -29.424
where: short stacking energy: -16.424
Base-Backbone interact. energy: -1.191
local terms energy: -40.979306
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -8.865
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -0.707
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: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -66.393364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.393364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.393364 (E_RNA)
where:
Base-Base interactions energy: -21.336
where: short stacking energy: -15.183
Base-Backbone interact. energy: 0.129
local terms energy: -45.186364
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -61.077543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.077543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.077543 (E_RNA)
where:
Base-Base interactions energy: -21.701
where: short stacking energy: -15.418
Base-Backbone interact. energy: -0.863
local terms energy: -38.513797
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -182.391249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.391249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.391249 (E_RNA)
where:
Base-Base interactions energy: -119.011
where: short stacking energy: -49.018
Base-Backbone interact. energy: -0.865
local terms energy: -62.515549
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -178.644524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.644524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.644524 (E_RNA)
where:
Base-Base interactions energy: -119.052
where: short stacking energy: -49.610
Base-Backbone interact. energy: -0.004
local terms energy: -59.588564
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -175.096353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.096353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.096353 (E_RNA)
where:
Base-Base interactions energy: -116.692
where: short stacking energy: -46.914
Base-Backbone interact. energy: -0.080
local terms energy: -58.324073
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -16.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -175.320552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.320552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.320552 (E_RNA)
where:
Base-Base interactions energy: -118.088
where: short stacking energy: -45.557
Base-Backbone interact. energy: -0.001
local terms energy: -57.231679
where:
bonds (distance) C4'-P energy: -6.636
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -9.305
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: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -160.181950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.181950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.181950 (E_RNA)
where:
Base-Base interactions energy: -103.621
where: short stacking energy: -40.651
Base-Backbone interact. energy: -0.117
local terms energy: -56.444492
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -74.737550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.737550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.737550 (E_RNA)
where:
Base-Base interactions energy: -30.004
where: short stacking energy: -23.180
Base-Backbone interact. energy: -0.012
local terms energy: -44.721372
where:
bonds (distance) C4'-P energy: -5.141
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -117.773997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.773997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.773997 (E_RNA)
where:
Base-Base interactions energy: -65.401
where: short stacking energy: -26.813
Base-Backbone interact. energy: -0.066
local terms energy: -52.307597
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -7.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -75.289591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.289591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.289591 (E_RNA)
where:
Base-Base interactions energy: -33.736
where: short stacking energy: -31.859
Base-Backbone interact. energy: -0.054
local terms energy: -41.499372
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -9.536
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -6.106
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: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -71.590208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.590208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.590208 (E_RNA)
where:
Base-Base interactions energy: -29.277
where: short stacking energy: -17.089
Base-Backbone interact. energy: -0.158
local terms energy: -42.155734
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -7.192
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -61.280084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.280084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.280084 (E_RNA)
where:
Base-Base interactions energy: -22.078
where: short stacking energy: -17.753
Base-Backbone interact. energy: -0.132
local terms energy: -39.069932
where:
bonds (distance) C4'-P energy: -7.451
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -2.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -181.842113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.842113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.842113 (E_RNA)
where:
Base-Base interactions energy: -119.652
where: short stacking energy: -49.074
Base-Backbone interact. energy: -0.018
local terms energy: -62.172084
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -6.658
tors. eta vs tors. theta energy: -16.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -180.779466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.779466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.779466 (E_RNA)
where:
Base-Base interactions energy: -116.807
where: short stacking energy: -49.884
Base-Backbone interact. energy: -0.007
local terms energy: -63.965978
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -7.417
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: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -174.192152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.192152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.192152 (E_RNA)
where:
Base-Base interactions energy: -115.218
where: short stacking energy: -36.941
Base-Backbone interact. energy: 0.133
local terms energy: -59.107457
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -14.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -175.221834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.221834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.221834 (E_RNA)
where:
Base-Base interactions energy: -109.625
where: short stacking energy: -42.203
Base-Backbone interact. energy: -0.003
local terms energy: -65.593313
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -8.198
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -161.295915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.295915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.295915 (E_RNA)
where:
Base-Base interactions energy: -104.564
where: short stacking energy: -39.149
Base-Backbone interact. energy: -0.007
local terms energy: -56.724351
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -10.568
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -12.163
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: 88
Temperature: 1.150000
Total energy: -75.277384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.277384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.277384 (E_RNA)
where:
Base-Base interactions energy: -25.534
where: short stacking energy: -22.624
Base-Backbone interact. energy: -0.338
local terms energy: -49.405406
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -9.815
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: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -61.348939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.348939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.348939 (E_RNA)
where:
Base-Base interactions energy: -21.647
where: short stacking energy: -9.118
Base-Backbone interact. energy: -0.121
local terms energy: -39.581207
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: 3.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -74.841130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.841130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.841130 (E_RNA)
where:
Base-Base interactions energy: -39.198
where: short stacking energy: -11.151
Base-Backbone interact. energy: 0.436
local terms energy: -36.079137
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -4.926
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -58.778909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.778909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.778909 (E_RNA)
where:
Base-Base interactions energy: -14.474
where: short stacking energy: -14.105
Base-Backbone interact. energy: -0.114
local terms energy: -44.191158
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -0.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -56.381046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.381046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.381046 (E_RNA)
where:
Base-Base interactions energy: -9.349
where: short stacking energy: -9.349
Base-Backbone interact. energy: -0.430
local terms energy: -46.602316
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: 1.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -181.150429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.150429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.150429 (E_RNA)
where:
Base-Base interactions energy: -119.168
where: short stacking energy: -47.518
Base-Backbone interact. energy: -1.059
local terms energy: -60.923165
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -14.004
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: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -173.980528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.980528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.980528 (E_RNA)
where:
Base-Base interactions energy: -113.891
where: short stacking energy: -42.492
Base-Backbone interact. energy: -0.042
local terms energy: -60.047222
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -6.152
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: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -175.745869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.745869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.745869 (E_RNA)
where:
Base-Base interactions energy: -114.478
where: short stacking energy: -47.407
Base-Backbone interact. energy: -0.174
local terms energy: -61.093446
where:
bonds (distance) C4'-P energy: -7.219
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -164.825054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.825054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.825054 (E_RNA)
where:
Base-Base interactions energy: -110.008
where: short stacking energy: -41.697
Base-Backbone interact. energy: -1.012
local terms energy: -53.804754
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -6.642
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: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -151.120959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.120959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.120959 (E_RNA)
where:
Base-Base interactions energy: -93.810
where: short stacking energy: -39.471
Base-Backbone interact. energy: -0.087
local terms energy: -57.224597
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -80.440825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.440825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.440825 (E_RNA)
where:
Base-Base interactions energy: -44.685
where: short stacking energy: -20.782
Base-Backbone interact. energy: -0.664
local terms energy: -35.091427
where:
bonds (distance) C4'-P energy: -8.382
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -4.306
flat angles P-C4'-P energy: -4.211
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: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -88.956176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.956176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.956176 (E_RNA)
where:
Base-Base interactions energy: -48.764
where: short stacking energy: -22.342
Base-Backbone interact. energy: -0.053
local terms energy: -40.139208
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -4.778
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -5.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -70.571920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.571920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.571920 (E_RNA)
where:
Base-Base interactions energy: -24.082
where: short stacking energy: -13.760
Base-Backbone interact. energy: -0.032
local terms energy: -46.457993
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -59.264361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.264361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.264361 (E_RNA)
where:
Base-Base interactions energy: -13.441
where: short stacking energy: -13.441
Base-Backbone interact. energy: -0.085
local terms energy: -45.738347
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -5.076
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: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -64.925529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.925529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.925529 (E_RNA)
where:
Base-Base interactions energy: -32.088
where: short stacking energy: -15.891
Base-Backbone interact. energy: -0.607
local terms energy: -32.229718
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -10.641
flat angles C4'-P-C4' energy: -8.244
flat angles P-C4'-P energy: -3.274
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: 1, replica: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -181.462321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.462321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.462321 (E_RNA)
where:
Base-Base interactions energy: -118.604
where: short stacking energy: -50.814
Base-Backbone interact. energy: -0.300
local terms energy: -62.558169
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -10.807
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -17.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -179.700736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.700736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.700736 (E_RNA)
where:
Base-Base interactions energy: -114.523
where: short stacking energy: -44.334
Base-Backbone interact. energy: -0.608
local terms energy: -64.569370
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -8.945
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: 3, replica: 3
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -179.174210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.174210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.174210 (E_RNA)
where:
Base-Base interactions energy: -115.893
where: short stacking energy: -42.891
Base-Backbone interact. energy: -0.946
local terms energy: -62.335686
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -170.920701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.920701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.920701 (E_RNA)
where:
Base-Base interactions energy: -106.085
where: short stacking energy: -40.672
Base-Backbone interact. energy: -0.012
local terms energy: -64.823793
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -14.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -83.588629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.588629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.588629 (E_RNA)
where:
Base-Base interactions energy: -45.127
where: short stacking energy: -21.225
Base-Backbone interact. energy: -0.167
local terms energy: -38.294649
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -8.400
flat angles P-C4'-P energy: -7.130
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: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -75.164535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.164535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.164535 (E_RNA)
where:
Base-Base interactions energy: -29.920
where: short stacking energy: -19.689
Base-Backbone interact. energy: -0.149
local terms energy: -45.095792
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -10.395
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -97.020243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.020243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.020243 (E_RNA)
where:
Base-Base interactions energy: -50.081
where: short stacking energy: -21.865
Base-Backbone interact. energy: -0.027
local terms energy: -46.912178
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -5.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -73.927998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.927998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.927998 (E_RNA)
where:
Base-Base interactions energy: -35.128
where: short stacking energy: -21.696
Base-Backbone interact. energy: -0.129
local terms energy: -38.670860
where:
bonds (distance) C4'-P energy: -8.362
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -1.237
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: 90
Temperature: 1.300000
Total energy: -80.698820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.698820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.698820 (E_RNA)
where:
Base-Base interactions energy: -33.581
where: short stacking energy: -13.631
Base-Backbone interact. energy: -0.124
local terms energy: -46.993716
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -10.121
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: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -61.354946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.354946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.354946 (E_RNA)
where:
Base-Base interactions energy: -15.962
where: short stacking energy: -12.097
Base-Backbone interact. energy: -0.019
local terms energy: -45.373831
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -4.231
tors. eta vs tors. theta energy: -2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -185.349579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.349579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.349579 (E_RNA)
where:
Base-Base interactions energy: -120.323
where: short stacking energy: -50.129
Base-Backbone interact. energy: -0.009
local terms energy: -65.018298
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -174.191089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.191089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.191089 (E_RNA)
where:
Base-Base interactions energy: -110.748
where: short stacking energy: -43.774
Base-Backbone interact. energy: -0.013
local terms energy: -63.430627
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -10.885
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: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -171.479633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.479633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.479633 (E_RNA)
where:
Base-Base interactions energy: -107.748
where: short stacking energy: -43.162
Base-Backbone interact. energy: -0.011
local terms energy: -63.721343
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -8.239
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: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -158.042504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.042504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.042504 (E_RNA)
where:
Base-Base interactions energy: -101.411
where: short stacking energy: -40.532
Base-Backbone interact. energy: -0.019
local terms energy: -56.612078
where:
bonds (distance) C4'-P energy: -9.483
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -8.796
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: 5, replica: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -78.424219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.424219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.424219 (E_RNA)
where:
Base-Base interactions energy: -31.981
where: short stacking energy: -20.266
Base-Backbone interact. energy: -0.017
local terms energy: -46.426646
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -8.110
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: 6, replica: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -66.920258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.920258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.920258 (E_RNA)
where:
Base-Base interactions energy: -26.980
where: short stacking energy: -17.630
Base-Backbone interact. energy: -0.017
local terms energy: -39.922923
where:
bonds (distance) C4'-P energy: -7.081
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -8.651
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -4.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -65.856955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.856955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.856955 (E_RNA)
where:
Base-Base interactions energy: -18.637
where: short stacking energy: -16.224
Base-Backbone interact. energy: -1.557
local terms energy: -45.663008
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -6.656
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: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -66.202004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.202004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.202004 (E_RNA)
where:
Base-Base interactions energy: -24.186
where: short stacking energy: -20.492
Base-Backbone interact. energy: -0.326
local terms energy: -41.690565
where:
bonds (distance) C4'-P energy: -5.751
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -5.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -56.773300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.773300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.773300 (E_RNA)
where:
Base-Base interactions energy: -29.577
where: short stacking energy: -12.454
Base-Backbone interact. energy: -0.231
local terms energy: -26.965171
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -7.157
flat angles P-C4'-P energy: -3.451
tors. eta vs tors. theta energy: 2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -56.301085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.301085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.301085 (E_RNA)
where:
Base-Base interactions energy: -17.456
where: short stacking energy: -13.528
Base-Backbone interact. energy: -0.295
local terms energy: -38.549664
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -7.415
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: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -176.262787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.262787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.262787 (E_RNA)
where:
Base-Base interactions energy: -115.370
where: short stacking energy: -43.913
Base-Backbone interact. energy: -0.092
local terms energy: -60.800329
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -15.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -178.634556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.634556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.634556 (E_RNA)
where:
Base-Base interactions energy: -122.740
where: short stacking energy: -40.232
Base-Backbone interact. energy: -0.139
local terms energy: -55.755856
where:
bonds (distance) C4'-P energy: -9.020
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -7.563
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -160.314765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.314765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.314765 (E_RNA)
where:
Base-Base interactions energy: -103.599
where: short stacking energy: -38.403
Base-Backbone interact. energy: -0.111
local terms energy: -56.604701
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -169.912256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.912256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.912256 (E_RNA)
where:
Base-Base interactions energy: -104.749
where: short stacking energy: -47.907
Base-Backbone interact. energy: 0.196
local terms energy: -65.359303
where:
bonds (distance) C4'-P energy: -10.532
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -14.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -77.017149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.017149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.017149 (E_RNA)
where:
Base-Base interactions energy: -26.800
where: short stacking energy: -22.979
Base-Backbone interact. energy: -0.092
local terms energy: -50.125194
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -10.199
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -4.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -97.969614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.969614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.969614 (E_RNA)
where:
Base-Base interactions energy: -53.429
where: short stacking energy: -25.566
Base-Backbone interact. energy: -0.084
local terms energy: -44.457204
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -9.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -71.556916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.556916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.556916 (E_RNA)
where:
Base-Base interactions energy: -31.553
where: short stacking energy: -20.395
Base-Backbone interact. energy: -0.093
local terms energy: -39.911078
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -8.788
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -104.196072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.196072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.196072 (E_RNA)
where:
Base-Base interactions energy: -61.267
where: short stacking energy: -30.149
Base-Backbone interact. energy: -0.125
local terms energy: -42.804197
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -6.631
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -7.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -53.988868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.988868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.988868 (E_RNA)
where:
Base-Base interactions energy: -16.748
where: short stacking energy: -7.944
Base-Backbone interact. energy: -0.217
local terms energy: -37.024278
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: 2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -63.993726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.993726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.993726 (E_RNA)
where:
Base-Base interactions energy: -33.792
where: short stacking energy: -13.253
Base-Backbone interact. energy: 2.940
local terms energy: -33.141996
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -2.431
flat angles P-C4'-P energy: -7.448
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: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -184.708550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.708550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.708550 (E_RNA)
where:
Base-Base interactions energy: -125.269
where: short stacking energy: -47.887
Base-Backbone interact. energy: -0.040
local terms energy: -59.399268
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -5.496
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: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -161.399230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.399230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.399230 (E_RNA)
where:
Base-Base interactions energy: -102.639
where: short stacking energy: -38.598
Base-Backbone interact. energy: -0.103
local terms energy: -58.657516
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -174.682621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.682621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.682621 (E_RNA)
where:
Base-Base interactions energy: -115.900
where: short stacking energy: -44.922
Base-Backbone interact. energy: -0.278
local terms energy: -58.504465
where:
bonds (distance) C4'-P energy: -9.360
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -168.092622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.092622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.092622 (E_RNA)
where:
Base-Base interactions energy: -115.933
where: short stacking energy: -45.239
Base-Backbone interact. energy: -0.004
local terms energy: -52.155354
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -12.540
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: 8
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -71.592343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.592343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.592343 (E_RNA)
where:
Base-Base interactions energy: -33.185
where: short stacking energy: -24.893
Base-Backbone interact. energy: -0.782
local terms energy: -37.624861
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -6.820
flat angles C4'-P-C4' energy: -9.087
flat angles P-C4'-P energy: -3.649
tors. eta vs tors. theta energy: -4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -68.114218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.114218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.114218 (E_RNA)
where:
Base-Base interactions energy: -32.483
where: short stacking energy: -21.956
Base-Backbone interact. energy: -0.097
local terms energy: -35.534258
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -7.765
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -2.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -91.169309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.169309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.169309 (E_RNA)
where:
Base-Base interactions energy: -49.904
where: short stacking energy: -24.946
Base-Backbone interact. energy: -0.161
local terms energy: -41.104244
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -8.641
flat angles P-C4'-P energy: -4.740
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: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -87.466031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.466031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.466031 (E_RNA)
where:
Base-Base interactions energy: -47.720
where: short stacking energy: -26.529
Base-Backbone interact. energy: -1.044
local terms energy: -38.702073
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -0.371
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -57.685798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.685798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.685798 (E_RNA)
where:
Base-Base interactions energy: -14.358
where: short stacking energy: -8.917
Base-Backbone interact. energy: -0.111
local terms energy: -43.216944
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -8.684
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: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -59.544704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.544704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.544704 (E_RNA)
where:
Base-Base interactions energy: -9.534
where: short stacking energy: -7.176
Base-Backbone interact. energy: -0.113
local terms energy: -49.898483
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -9.384
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: 5
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -187.140908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.140908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.140908 (E_RNA)
where:
Base-Base interactions energy: -121.990
where: short stacking energy: -47.739
Base-Backbone interact. energy: -1.354
local terms energy: -63.796391
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -181.108113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.108113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.108113 (E_RNA)
where:
Base-Base interactions energy: -124.355
where: short stacking energy: -39.981
Base-Backbone interact. energy: -0.015
local terms energy: -56.737360
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -13.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -172.822583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.822583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.822583 (E_RNA)
where:
Base-Base interactions energy: -113.889
where: short stacking energy: -42.976
Base-Backbone interact. energy: -0.066
local terms energy: -58.867946
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -14.755
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: 94
Temperature: 1.050000
Total energy: -175.758002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.758002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.758002 (E_RNA)
where:
Base-Base interactions energy: -113.200
where: short stacking energy: -40.187
Base-Backbone interact. energy: -0.053
local terms energy: -62.505583
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -6.311
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: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -91.734833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.734833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.734833 (E_RNA)
where:
Base-Base interactions energy: -47.534
where: short stacking energy: -25.981
Base-Backbone interact. energy: -0.671
local terms energy: -43.529790
where:
bonds (distance) C4'-P energy: -7.161
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -7.815
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: 6, replica: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -79.605153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.605153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.605153 (E_RNA)
where:
Base-Base interactions energy: -28.545
where: short stacking energy: -19.124
Base-Backbone interact. energy: -0.028
local terms energy: -51.031997
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -5.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -85.423372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.423372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.423372 (E_RNA)
where:
Base-Base interactions energy: -39.054
where: short stacking energy: -19.724
Base-Backbone interact. energy: -0.089
local terms energy: -46.280337
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -8.124
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: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -64.306939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.306939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.306939 (E_RNA)
where:
Base-Base interactions energy: -27.119
where: short stacking energy: -14.041
Base-Backbone interact. energy: 0.166
local terms energy: -37.354420
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -4.128
tors. eta vs tors. theta energy: -0.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -60.629222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.629222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.629222 (E_RNA)
where:
Base-Base interactions energy: -20.540
where: short stacking energy: -20.540
Base-Backbone interact. energy: -0.142
local terms energy: -39.947580
where:
bonds (distance) C4'-P energy: -8.718
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -61.683899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.683899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.683899 (E_RNA)
where:
Base-Base interactions energy: -20.567
where: short stacking energy: -20.567
Base-Backbone interact. energy: -0.007
local terms energy: -41.110025
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: 1.319
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: 1, replica: 5
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -178.401404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.401404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.401404 (E_RNA)
where:
Base-Base interactions energy: -118.243
where: short stacking energy: -46.597
Base-Backbone interact. energy: -0.044
local terms energy: -60.114875
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -173.594420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.594420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.594420 (E_RNA)
where:
Base-Base interactions energy: -109.996
where: short stacking energy: -45.460
Base-Backbone interact. energy: -0.119
local terms energy: -63.479341
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -10.679
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: 3, replica: 3
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -178.004577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.004577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.004577 (E_RNA)
where:
Base-Base interactions energy: -110.856
where: short stacking energy: -46.881
Base-Backbone interact. energy: -0.002
local terms energy: -67.146659
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -8.487
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: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -171.322679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.322679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.322679 (E_RNA)
where:
Base-Base interactions energy: -112.165
where: short stacking energy: -45.905
Base-Backbone interact. energy: -0.012
local terms energy: -59.145435
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -10.769
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -89.713373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.713373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.713373 (E_RNA)
where:
Base-Base interactions energy: -51.171
where: short stacking energy: -14.990
Base-Backbone interact. energy: 0.028
local terms energy: -38.569713
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -7.464
flat angles P-C4'-P energy: -4.922
tors. eta vs tors. theta energy: -1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -79.837737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.837737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.837737 (E_RNA)
where:
Base-Base interactions energy: -28.061
where: short stacking energy: -9.755
Base-Backbone interact. energy: 0.049
local terms energy: -51.825937
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -9.531
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -7.024
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: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -66.628438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.628438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.628438 (E_RNA)
where:
Base-Base interactions energy: -23.476
where: short stacking energy: -16.312
Base-Backbone interact. energy: -0.014
local terms energy: -43.138540
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -7.354
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: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -65.468635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.468635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.468635 (E_RNA)
where:
Base-Base interactions energy: -27.985
where: short stacking energy: -27.447
Base-Backbone interact. energy: -0.110
local terms energy: -37.373666
where:
bonds (distance) C4'-P energy: -6.825
bonds (distance) P-C4' energy: -9.821
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -4.701
tors. eta vs tors. theta energy: -5.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -58.997115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.997115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.997115 (E_RNA)
where:
Base-Base interactions energy: -21.642
where: short stacking energy: -17.274
Base-Backbone interact. energy: -0.302
local terms energy: -37.053151
where:
bonds (distance) C4'-P energy: -9.376
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: 3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -57.433844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.433844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.433844 (E_RNA)
where:
Base-Base interactions energy: -30.458
where: short stacking energy: -8.429
Base-Backbone interact. energy: -0.154
local terms energy: -26.821766
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -2.236
flat angles P-C4'-P energy: -4.137
tors. eta vs tors. theta energy: 4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -180.065974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.065974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.065974 (E_RNA)
where:
Base-Base interactions energy: -119.634
where: short stacking energy: -46.627
Base-Backbone interact. energy: -0.057
local terms energy: -60.375049
where:
bonds (distance) C4'-P energy: -8.891
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -8.420
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: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -174.155223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.155223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.155223 (E_RNA)
where:
Base-Base interactions energy: -114.316
where: short stacking energy: -47.216
Base-Backbone interact. energy: -0.001
local terms energy: -59.838285
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -9.319
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -15.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -169.636845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.636845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.636845 (E_RNA)
where:
Base-Base interactions energy: -108.495
where: short stacking energy: -46.272
Base-Backbone interact. energy: -0.150
local terms energy: -60.991300
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -4.893
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -158.121437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.121437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.121437 (E_RNA)
where:
Base-Base interactions energy: -105.682
where: short stacking energy: -39.422
Base-Backbone interact. energy: -0.000
local terms energy: -52.439013
where:
bonds (distance) C4'-P energy: -9.157
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -13.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -99.679657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.679657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.679657 (E_RNA)
where:
Base-Base interactions energy: -52.355
where: short stacking energy: -27.882
Base-Backbone interact. energy: -0.168
local terms energy: -47.157194
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -72.812447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.812447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.812447 (E_RNA)
where:
Base-Base interactions energy: -24.596
where: short stacking energy: -21.447
Base-Backbone interact. energy: -0.176
local terms energy: -48.040011
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -63.639387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.639387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.639387 (E_RNA)
where:
Base-Base interactions energy: -21.661
where: short stacking energy: -11.055
Base-Backbone interact. energy: -0.073
local terms energy: -41.905617
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -69.434086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.434086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.434086 (E_RNA)
where:
Base-Base interactions energy: -39.343
where: short stacking energy: -10.797
Base-Backbone interact. energy: -0.117
local terms energy: -29.974213
where:
bonds (distance) C4'-P energy: -9.335
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -0.892
flat angles P-C4'-P energy: -9.150
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: 96
Temperature: 1.300000
Total energy: -60.229909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.229909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.229909 (E_RNA)
where:
Base-Base interactions energy: -27.343
where: short stacking energy: -7.391
Base-Backbone interact. energy: 0.456
local terms energy: -33.342277
where:
bonds (distance) C4'-P energy: -9.678
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: 6.606
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: 6
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -63.066926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.066926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.066926 (E_RNA)
where:
Base-Base interactions energy: -23.276
where: short stacking energy: -11.966
Base-Backbone interact. energy: -0.117
local terms energy: -39.673607
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: 1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -181.468902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.468902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.468902 (E_RNA)
where:
Base-Base interactions energy: -116.793
where: short stacking energy: -49.141
Base-Backbone interact. energy: -0.034
local terms energy: -64.642051
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -16.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -180.080423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.080423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.080423 (E_RNA)
where:
Base-Base interactions energy: -120.156
where: short stacking energy: -48.983
Base-Backbone interact. energy: -0.042
local terms energy: -59.882148
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -167.795430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.795430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.795430 (E_RNA)
where:
Base-Base interactions energy: -107.423
where: short stacking energy: -37.978
Base-Backbone interact. energy: -0.098
local terms energy: -60.274399
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -12.390
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: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -167.458498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.458498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.458498 (E_RNA)
where:
Base-Base interactions energy: -107.395
where: short stacking energy: -47.378
Base-Backbone interact. energy: -0.976
local terms energy: -59.087805
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -7.135
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -10.720
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: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -86.546315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.546315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.546315 (E_RNA)
where:
Base-Base interactions energy: -40.909
where: short stacking energy: -11.942
Base-Backbone interact. energy: 0.198
local terms energy: -45.835219
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -75.474443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.474443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.474443 (E_RNA)
where:
Base-Base interactions energy: -24.650
where: short stacking energy: -12.158
Base-Backbone interact. energy: -0.548
local terms energy: -50.276843
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -11.267
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: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -84.190602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.190602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.190602 (E_RNA)
where:
Base-Base interactions energy: -32.263
where: short stacking energy: -28.286
Base-Backbone interact. energy: -0.014
local terms energy: -51.913133
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -9.503
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -12.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -77.633857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.633857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.633857 (E_RNA)
where:
Base-Base interactions energy: -25.768
where: short stacking energy: -16.692
Base-Backbone interact. energy: -0.001
local terms energy: -51.864958
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -8.295
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: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -57.368195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.368195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.368195 (E_RNA)
where:
Base-Base interactions energy: -22.373
where: short stacking energy: -19.951
Base-Backbone interact. energy: 2.500
local terms energy: -37.495109
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -9.358
flat angles P-C4'-P energy: -2.837
tors. eta vs tors. theta energy: -1.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -57.453952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.453952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.453952 (E_RNA)
where:
Base-Base interactions energy: -14.554
where: short stacking energy: -12.472
Base-Backbone interact. energy: -0.031
local terms energy: -42.869645
where:
bonds (distance) C4'-P energy: -9.310
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: 2.199
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: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -184.455049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.455049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.455049 (E_RNA)
where:
Base-Base interactions energy: -122.879
where: short stacking energy: -45.096
Base-Backbone interact. energy: -0.097
local terms energy: -61.479841
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -6.470
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: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -181.839553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.839553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.839553 (E_RNA)
where:
Base-Base interactions energy: -115.556
where: short stacking energy: -45.661
Base-Backbone interact. energy: -0.172
local terms energy: -66.110884
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -172.133119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.133119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.133119 (E_RNA)
where:
Base-Base interactions energy: -112.841
where: short stacking energy: -46.359
Base-Backbone interact. energy: -0.000
local terms energy: -59.291847
where:
bonds (distance) C4'-P energy: -6.843
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -174.953965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.953965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.953965 (E_RNA)
where:
Base-Base interactions energy: -113.253
where: short stacking energy: -50.548
Base-Backbone interact. energy: -0.599
local terms energy: -61.102078
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -18.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -86.092633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.092633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.092633 (E_RNA)
where:
Base-Base interactions energy: -46.249
where: short stacking energy: -22.599
Base-Backbone interact. energy: -0.006
local terms energy: -39.837219
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -9.079
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -3.829
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: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -89.439290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.439290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.439290 (E_RNA)
where:
Base-Base interactions energy: -50.679
where: short stacking energy: -17.995
Base-Backbone interact. energy: -0.443
local terms energy: -38.317799
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -9.768
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -8.713
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: 7, replica: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -66.698436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.698436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.698436 (E_RNA)
where:
Base-Base interactions energy: -21.818
where: short stacking energy: -21.818
Base-Backbone interact. energy: -0.221
local terms energy: -44.659568
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -7.006
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: 8, replica: 1
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -88.829853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.829853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.829853 (E_RNA)
where:
Base-Base interactions energy: -41.008
where: short stacking energy: -13.844
Base-Backbone interact. energy: 0.124
local terms energy: -47.945606
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -9.983
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: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -69.004741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.004741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.004741 (E_RNA)
where:
Base-Base interactions energy: -30.009
where: short stacking energy: -12.132
Base-Backbone interact. energy: -0.755
local terms energy: -38.240305
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -7.841
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -5.745
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: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -53.643195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.643195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.643195 (E_RNA)
where:
Base-Base interactions energy: -25.476
where: short stacking energy: -10.980
Base-Backbone interact. energy: 2.756
local terms energy: -30.923388
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: 2.027
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -0.459
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: 99
Temperature: 0.900000
Total energy: -178.120231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.120231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.120231 (E_RNA)
where:
Base-Base interactions energy: -117.592
where: short stacking energy: -49.825
Base-Backbone interact. energy: -0.006
local terms energy: -60.522276
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -8.862
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -15.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -174.238796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.238796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.238796 (E_RNA)
where:
Base-Base interactions energy: -120.729
where: short stacking energy: -45.118
Base-Backbone interact. energy: -0.004
local terms energy: -53.506378
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -12.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -171.170435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.170435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.170435 (E_RNA)
where:
Base-Base interactions energy: -110.685
where: short stacking energy: -39.697
Base-Backbone interact. energy: -0.002
local terms energy: -60.483722
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -173.834772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.834772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.834772 (E_RNA)
where:
Base-Base interactions energy: -111.954
where: short stacking energy: -44.278
Base-Backbone interact. energy: -0.942
local terms energy: -60.938255
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -14.618
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: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -124.050855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.050855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.050855 (E_RNA)
where:
Base-Base interactions energy: -78.450
where: short stacking energy: -26.088
Base-Backbone interact. energy: -0.523
local terms energy: -45.078347
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -8.653
flat angles P-C4'-P energy: -4.466
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: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -72.091686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.091686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.091686 (E_RNA)
where:
Base-Base interactions energy: -22.719
where: short stacking energy: -20.702
Base-Backbone interact. energy: -0.105
local terms energy: -49.266887
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -6.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -83.035390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.035390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.035390 (E_RNA)
where:
Base-Base interactions energy: -42.469
where: short stacking energy: -11.410
Base-Backbone interact. energy: -0.175
local terms energy: -40.391326
where:
bonds (distance) C4'-P energy: -3.365
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -64.503169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.503169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.503169 (E_RNA)
where:
Base-Base interactions energy: -25.972
where: short stacking energy: -18.614
Base-Backbone interact. energy: -0.598
local terms energy: -37.933198
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: 1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -68.810839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.810839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.810839 (E_RNA)
where:
Base-Base interactions energy: -26.879
where: short stacking energy: -16.519
Base-Backbone interact. energy: -0.222
local terms energy: -41.710032
where:
bonds (distance) C4'-P energy: -9.235
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -1.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -53.570369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.570369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.570369 (E_RNA)
where:
Base-Base interactions energy: -16.240
where: short stacking energy: -15.120
Base-Backbone interact. energy: -0.139
local terms energy: -37.191980
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -9.268
flat angles P-C4'-P energy: -1.955
tors. eta vs tors. theta energy: -0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -172.217729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.217729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.217729 (E_RNA)
where:
Base-Base interactions energy: -110.349
where: short stacking energy: -36.346
Base-Backbone interact. energy: -0.094
local terms energy: -61.774712
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -12.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -179.463396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.463396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.463396 (E_RNA)
where:
Base-Base interactions energy: -117.691
where: short stacking energy: -47.050
Base-Backbone interact. energy: -0.014
local terms energy: -61.758290
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -16.114
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: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -176.662141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.662141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.662141 (E_RNA)
where:
Base-Base interactions energy: -113.448
where: short stacking energy: -48.921
Base-Backbone interact. energy: -0.020
local terms energy: -63.194526
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -170.236983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.236983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.236983 (E_RNA)
where:
Base-Base interactions energy: -112.380
where: short stacking energy: -47.573
Base-Backbone interact. energy: -0.006
local terms energy: -57.850720
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -130.698182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.698182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.698182 (E_RNA)
where:
Base-Base interactions energy: -80.435
where: short stacking energy: -37.737
Base-Backbone interact. energy: -0.010
local terms energy: -50.253536
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -10.104
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -8.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -81.723325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.723325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.723325 (E_RNA)
where:
Base-Base interactions energy: -41.407
where: short stacking energy: -18.680
Base-Backbone interact. energy: -0.163
local terms energy: -40.153439
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -9.458
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -2.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -72.752277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.752277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.752277 (E_RNA)
where:
Base-Base interactions energy: -29.569
where: short stacking energy: -16.541
Base-Backbone interact. energy: 0.790
local terms energy: -43.973542
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: -3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -70.692758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.692758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.692758 (E_RNA)
where:
Base-Base interactions energy: -39.404
where: short stacking energy: -19.856
Base-Backbone interact. energy: -1.008
local terms energy: -30.280244
where:
bonds (distance) C4'-P energy: 2.097
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -6.890
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -60.896778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.896778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.896778 (E_RNA)
where:
Base-Base interactions energy: -16.356
where: short stacking energy: -16.356
Base-Backbone interact. energy: 0.354
local terms energy: -44.894338
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -6.537
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -4.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -61.619361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.619361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.619361 (E_RNA)
where:
Base-Base interactions energy: -14.224
where: short stacking energy: -14.090
Base-Backbone interact. energy: -1.046
local terms energy: -46.349297
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -10.818
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -9.665
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: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -178.678996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.678996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.678996 (E_RNA)
where:
Base-Base interactions energy: -114.349
where: short stacking energy: -45.671
Base-Backbone interact. energy: 0.525
local terms energy: -64.854433
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -175.732435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.732435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.732435 (E_RNA)
where:
Base-Base interactions energy: -113.511
where: short stacking energy: -38.099
Base-Backbone interact. energy: -0.163
local terms energy: -62.058380
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -16.496
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: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -172.388774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.388774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.388774 (E_RNA)
where:
Base-Base interactions energy: -110.540
where: short stacking energy: -47.788
Base-Backbone interact. energy: -0.003
local terms energy: -61.845659
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -10.478
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: 4, replica: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -135.878457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.878457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.878457 (E_RNA)
where:
Base-Base interactions energy: -83.070
where: short stacking energy: -26.758
Base-Backbone interact. energy: -0.735
local terms energy: -52.074263
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: -9.805
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: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -174.078104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.078104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.078104 (E_RNA)
where:
Base-Base interactions energy: -118.126
where: short stacking energy: -45.684
Base-Backbone interact. energy: -0.073
local terms energy: -55.878699
where:
bonds (distance) C4'-P energy: -5.924
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -15.397
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: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -73.335190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.335190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.335190 (E_RNA)
where:
Base-Base interactions energy: -21.155
where: short stacking energy: -21.155
Base-Backbone interact. energy: -0.048
local terms energy: -52.131774
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -9.250
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: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -60.179859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.179859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.179859 (E_RNA)
where:
Base-Base interactions energy: -18.380
where: short stacking energy: -10.511
Base-Backbone interact. energy: -0.021
local terms energy: -41.778964
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -6.893
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: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -64.896000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.896000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.896000 (E_RNA)
where:
Base-Base interactions energy: -21.854
where: short stacking energy: -14.114
Base-Backbone interact. energy: -0.181
local terms energy: -42.860797
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -2.246
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: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -57.272010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.272010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.272010 (E_RNA)
where:
Base-Base interactions energy: -21.382
where: short stacking energy: -11.888
Base-Backbone interact. energy: -0.244
local terms energy: -35.646201
where:
bonds (distance) C4'-P energy: -9.707
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -7.854
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: 3.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -68.960635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.960635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.960635 (E_RNA)
where:
Base-Base interactions energy: -26.266
where: short stacking energy: -14.019
Base-Backbone interact. energy: -0.172
local terms energy: -42.522440
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -8.091
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: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -181.931743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.931743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.931743 (E_RNA)
where:
Base-Base interactions energy: -122.180
where: short stacking energy: -39.308
Base-Backbone interact. energy: -0.081
local terms energy: -59.670899
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -13.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -175.808102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.808102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.808102 (E_RNA)
where:
Base-Base interactions energy: -113.568
where: short stacking energy: -44.847
Base-Backbone interact. energy: -0.001
local terms energy: -62.239056
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -15.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -177.097662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.097662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.097662 (E_RNA)
where:
Base-Base interactions energy: -118.351
where: short stacking energy: -35.304
Base-Backbone interact. energy: -0.678
local terms energy: -58.068668
where:
bonds (distance) C4'-P energy: -8.416
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -14.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -141.516018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.516018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.516018 (E_RNA)
where:
Base-Base interactions energy: -83.445
where: short stacking energy: -31.803
Base-Backbone interact. energy: -0.028
local terms energy: -58.043653
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -10.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -167.766188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.766188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.766188 (E_RNA)
where:
Base-Base interactions energy: -113.148
where: short stacking energy: -48.568
Base-Backbone interact. energy: 0.305
local terms energy: -54.923217
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -70.392514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.392514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.392514 (E_RNA)
where:
Base-Base interactions energy: -27.105
where: short stacking energy: -8.815
Base-Backbone interact. energy: -0.413
local terms energy: -42.874203
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -8.682
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: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -68.285538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.285538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.285538 (E_RNA)
where:
Base-Base interactions energy: -20.085
where: short stacking energy: -9.544
Base-Backbone interact. energy: -1.549
local terms energy: -46.651363
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: -2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -66.717554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.717554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.717554 (E_RNA)
where:
Base-Base interactions energy: -20.120
where: short stacking energy: -14.247
Base-Backbone interact. energy: -0.142
local terms energy: -46.454970
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -75.222526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.222526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.222526 (E_RNA)
where:
Base-Base interactions energy: -33.431
where: short stacking energy: -12.272
Base-Backbone interact. energy: -0.106
local terms energy: -41.685477
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -57.614231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.614231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.614231 (E_RNA)
where:
Base-Base interactions energy: -13.312
where: short stacking energy: -12.144
Base-Backbone interact. energy: -0.693
local terms energy: -43.608679
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: 1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -176.657850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.657850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.657850 (E_RNA)
where:
Base-Base interactions energy: -117.781
where: short stacking energy: -46.634
Base-Backbone interact. energy: -0.118
local terms energy: -58.758819
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -8.545
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -173.439004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.439004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.439004 (E_RNA)
where:
Base-Base interactions energy: -112.186
where: short stacking energy: -45.771
Base-Backbone interact. energy: -0.001
local terms energy: -61.251888
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -174.647863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.647863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.647863 (E_RNA)
where:
Base-Base interactions energy: -113.635
where: short stacking energy: -44.568
Base-Backbone interact. energy: -0.027
local terms energy: -60.986011
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -15.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -172.107886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.107886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.107886 (E_RNA)
where:
Base-Base interactions energy: -113.483
where: short stacking energy: -45.528
Base-Backbone interact. energy: -0.001
local terms energy: -58.624273
where:
bonds (distance) C4'-P energy: -8.842
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -166.294629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.294629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.294629 (E_RNA)
where:
Base-Base interactions energy: -106.367
where: short stacking energy: -40.616
Base-Backbone interact. energy: -0.117
local terms energy: -59.810247
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -7.344
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: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -67.181768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.181768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.181768 (E_RNA)
where:
Base-Base interactions energy: -33.907
where: short stacking energy: -19.770
Base-Backbone interact. energy: -0.488
local terms energy: -32.786408
where:
bonds (distance) C4'-P energy: -9.550
bonds (distance) P-C4' energy: -7.516
flat angles C4'-P-C4' energy: -8.260
flat angles P-C4'-P energy: -5.913
tors. eta vs tors. theta energy: -1.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -62.401669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.401669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.401669 (E_RNA)
where:
Base-Base interactions energy: -25.745
where: short stacking energy: -3.701
Base-Backbone interact. energy: -0.621
local terms energy: -36.036168
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: 6.391
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: 4
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -77.405946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.405946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.405946 (E_RNA)
where:
Base-Base interactions energy: -33.184
where: short stacking energy: -16.892
Base-Backbone interact. energy: -0.299
local terms energy: -43.923286
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -64.272248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.272248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.272248 (E_RNA)
where:
Base-Base interactions energy: -18.230
where: short stacking energy: -18.230
Base-Backbone interact. energy: -0.135
local terms energy: -45.906806
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: 0.662
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: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -59.376658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.376658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.376658 (E_RNA)
where:
Base-Base interactions energy: -17.251
where: short stacking energy: -14.807
Base-Backbone interact. energy: -0.230
local terms energy: -41.895780
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -5.938
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: 3
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -183.799375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.799375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.799375 (E_RNA)
where:
Base-Base interactions energy: -114.739
where: short stacking energy: -45.765
Base-Backbone interact. energy: -0.003
local terms energy: -69.057250
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -177.920780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.920780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.920780 (E_RNA)
where:
Base-Base interactions energy: -115.789
where: short stacking energy: -48.036
Base-Backbone interact. energy: -0.001
local terms energy: -62.130596
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -16.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -176.681764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.681764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.681764 (E_RNA)
where:
Base-Base interactions energy: -119.193
where: short stacking energy: -43.570
Base-Backbone interact. energy: -0.206
local terms energy: -57.283332
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -8.585
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -172.938295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.938295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.938295 (E_RNA)
where:
Base-Base interactions energy: -111.100
where: short stacking energy: -43.866
Base-Backbone interact. energy: -0.072
local terms energy: -61.766539
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -12.866
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -144.784028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.784028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.784028 (E_RNA)
where:
Base-Base interactions energy: -92.310
where: short stacking energy: -28.006
Base-Backbone interact. energy: -1.827
local terms energy: -50.646911
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -9.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -68.956737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.956737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.956737 (E_RNA)
where:
Base-Base interactions energy: -26.210
where: short stacking energy: -20.494
Base-Backbone interact. energy: -0.257
local terms energy: -42.489975
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -70.533770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.533770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.533770 (E_RNA)
where:
Base-Base interactions energy: -23.906
where: short stacking energy: -14.416
Base-Backbone interact. energy: -0.450
local terms energy: -46.177168
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -9.161
flat angles P-C4'-P energy: -11.952
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: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -61.684909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.684909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.684909 (E_RNA)
where:
Base-Base interactions energy: -13.374
where: short stacking energy: -13.374
Base-Backbone interact. energy: -0.007
local terms energy: -48.303695
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -63.570531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.570531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.570531 (E_RNA)
where:
Base-Base interactions energy: -35.833
where: short stacking energy: -13.795
Base-Backbone interact. energy: -0.926
local terms energy: -26.811394
where:
bonds (distance) C4'-P energy: -8.241
bonds (distance) P-C4' energy: -9.737
flat angles C4'-P-C4' energy: -8.573
flat angles P-C4'-P energy: -3.637
tors. eta vs tors. theta energy: 3.376
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: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -51.115728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.115728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.115728 (E_RNA)
where:
Base-Base interactions energy: -15.809
where: short stacking energy: -12.193
Base-Backbone interact. energy: -0.916
local terms energy: -34.390756
where:
bonds (distance) C4'-P energy: -9.682
bonds (distance) P-C4' energy: -7.809
flat angles C4'-P-C4' energy: -8.687
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -0.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -180.097750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.097750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.097750 (E_RNA)
where:
Base-Base interactions energy: -115.408
where: short stacking energy: -43.565
Base-Backbone interact. energy: -0.018
local terms energy: -64.671559
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -10.811
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: 2, replica: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -179.911261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.911261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.911261 (E_RNA)
where:
Base-Base interactions energy: -112.543
where: short stacking energy: -50.066
Base-Backbone interact. energy: -0.129
local terms energy: -67.239128
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -10.102
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: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -173.130135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.130135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.130135 (E_RNA)
where:
Base-Base interactions energy: -110.249
where: short stacking energy: -47.311
Base-Backbone interact. energy: -0.008
local terms energy: -62.872827
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -7.653
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: 4, replica: 5
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -174.831123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.831123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.831123 (E_RNA)
where:
Base-Base interactions energy: -120.640
where: short stacking energy: -42.724
Base-Backbone interact. energy: -0.651
local terms energy: -53.540932
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -10.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -149.107249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.107249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.107249 (E_RNA)
where:
Base-Base interactions energy: -101.484
where: short stacking energy: -38.431
Base-Backbone interact. energy: -0.046
local terms energy: -47.577741
where:
bonds (distance) C4'-P energy: -7.438
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -9.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -70.823373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.823373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.823373 (E_RNA)
where:
Base-Base interactions energy: -30.137
where: short stacking energy: -24.735
Base-Backbone interact. energy: -0.191
local terms energy: -40.494836
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -7.830
flat angles C4'-P-C4' energy: -8.074
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -6.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -68.957592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.957592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.957592 (E_RNA)
where:
Base-Base interactions energy: -28.291
where: short stacking energy: -20.593
Base-Backbone interact. energy: -0.089
local terms energy: -40.577406
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -3.343
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: 1
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -77.012160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.012160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.012160 (E_RNA)
where:
Base-Base interactions energy: -36.173
where: short stacking energy: -17.704
Base-Backbone interact. energy: -0.369
local terms energy: -40.470653
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -9.247
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -7.820
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: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -56.867942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.867942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.867942 (E_RNA)
where:
Base-Base interactions energy: -20.659
where: short stacking energy: -9.445
Base-Backbone interact. energy: -0.215
local terms energy: -35.993825
where:
bonds (distance) C4'-P energy: -4.946
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -6.854
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: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -63.542538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.542538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.542538 (E_RNA)
where:
Base-Base interactions energy: -20.661
where: short stacking energy: -6.802
Base-Backbone interact. energy: -0.178
local terms energy: -42.703123
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -7.388
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: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -183.274633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.274633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.274633 (E_RNA)
where:
Base-Base interactions energy: -114.871
where: short stacking energy: -47.017
Base-Backbone interact. energy: -0.733
local terms energy: -67.670722
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -15.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -177.757076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.757076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.757076 (E_RNA)
where:
Base-Base interactions energy: -117.511
where: short stacking energy: -47.442
Base-Backbone interact. energy: -0.043
local terms energy: -60.202763
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -9.877
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -14.853
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: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -174.904988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.904988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.904988 (E_RNA)
where:
Base-Base interactions energy: -119.487
where: short stacking energy: -43.712
Base-Backbone interact. energy: -0.207
local terms energy: -55.211010
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -13.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -169.440177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.440177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.440177 (E_RNA)
where:
Base-Base interactions energy: -111.300
where: short stacking energy: -44.247
Base-Backbone interact. energy: -0.475
local terms energy: -57.664827
where:
bonds (distance) C4'-P energy: -8.568
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -169.185144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.185144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.185144 (E_RNA)
where:
Base-Base interactions energy: -111.960
where: short stacking energy: -49.249
Base-Backbone interact. energy: -0.004
local terms energy: -57.220664
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -2.898
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -63.842653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.842653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.842653 (E_RNA)
where:
Base-Base interactions energy: -24.484
where: short stacking energy: -19.525
Base-Backbone interact. energy: -0.201
local terms energy: -39.157193
where:
bonds (distance) C4'-P energy: -8.937
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -76.140433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.140433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.140433 (E_RNA)
where:
Base-Base interactions energy: -30.141
where: short stacking energy: -19.141
Base-Backbone interact. energy: -0.191
local terms energy: -45.808277
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -7.485
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -5.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -71.283482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.283482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.283482 (E_RNA)
where:
Base-Base interactions energy: -37.876
where: short stacking energy: -16.265
Base-Backbone interact. energy: -0.254
local terms energy: -33.153497
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -8.667
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: 1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -64.410857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.410857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.410857 (E_RNA)
where:
Base-Base interactions energy: -24.382
where: short stacking energy: -13.692
Base-Backbone interact. energy: -0.360
local terms energy: -39.668184
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -8.266
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -1.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -68.475772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.475772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.475772 (E_RNA)
where:
Base-Base interactions energy: -23.813
where: short stacking energy: -23.813
Base-Backbone interact. energy: -0.083
local terms energy: -44.580278
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -8.355
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -185.680020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.680020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.680020 (E_RNA)
where:
Base-Base interactions energy: -119.410
where: short stacking energy: -49.644
Base-Backbone interact. energy: -0.631
local terms energy: -65.639081
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -178.921915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.921915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.921915 (E_RNA)
where:
Base-Base interactions energy: -114.420
where: short stacking energy: -45.639
Base-Backbone interact. energy: -0.001
local terms energy: -64.501270
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -11.111
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: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -168.116646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.116646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.116646 (E_RNA)
where:
Base-Base interactions energy: -112.493
where: short stacking energy: -42.379
Base-Backbone interact. energy: -0.191
local terms energy: -55.432768
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -3.706
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: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -172.018037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.018037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.018037 (E_RNA)
where:
Base-Base interactions energy: -111.054
where: short stacking energy: -45.192
Base-Backbone interact. energy: -0.024
local terms energy: -60.940353
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -9.877
flat angles P-C4'-P energy: -8.835
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: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -165.069552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.069552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.069552 (E_RNA)
where:
Base-Base interactions energy: -104.745
where: short stacking energy: -38.383
Base-Backbone interact. energy: -0.137
local terms energy: -60.187189
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -12.427
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: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -76.621594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.621594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.621594 (E_RNA)
where:
Base-Base interactions energy: -30.811
where: short stacking energy: -23.549
Base-Backbone interact. energy: -0.191
local terms energy: -45.619609
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -9.204
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -61.748593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.748593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.748593 (E_RNA)
where:
Base-Base interactions energy: -20.471
where: short stacking energy: -17.283
Base-Backbone interact. energy: 0.204
local terms energy: -41.481306
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -4.893
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: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -64.895178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.895178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.895178 (E_RNA)
where:
Base-Base interactions energy: -25.801
where: short stacking energy: -11.289
Base-Backbone interact. energy: -0.188
local terms energy: -38.905664
where:
bonds (distance) C4'-P energy: -8.183
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -8.119
flat angles P-C4'-P energy: -7.776
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: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -65.398296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.398296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.398296 (E_RNA)
where:
Base-Base interactions energy: -25.388
where: short stacking energy: -12.058
Base-Backbone interact. energy: 0.134
local terms energy: -40.144904
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: 1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -69.516290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.516290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.516290 (E_RNA)
where:
Base-Base interactions energy: -29.229
where: short stacking energy: -23.800
Base-Backbone interact. energy: 0.381
local terms energy: -40.668281
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -8.422
flat angles P-C4'-P energy: -0.086
tors. eta vs tors. theta energy: -5.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -174.545620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.545620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.545620 (E_RNA)
where:
Base-Base interactions energy: -118.419
where: short stacking energy: -41.630
Base-Backbone interact. energy: -0.501
local terms energy: -55.626089
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -11.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -180.429858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.429858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.429858 (E_RNA)
where:
Base-Base interactions energy: -117.086
where: short stacking energy: -48.754
Base-Backbone interact. energy: -0.550
local terms energy: -62.794003
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -14.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -170.119501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.119501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.119501 (E_RNA)
where:
Base-Base interactions energy: -107.827
where: short stacking energy: -40.864
Base-Backbone interact. energy: -0.000
local terms energy: -62.292422
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -14.007
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: 4, replica: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -167.136413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.136413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.136413 (E_RNA)
where:
Base-Base interactions energy: -109.267
where: short stacking energy: -39.278
Base-Backbone interact. energy: -0.022
local terms energy: -57.848330
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -13.032
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: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -169.645855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.645855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.645855 (E_RNA)
where:
Base-Base interactions energy: -110.174
where: short stacking energy: -44.112
Base-Backbone interact. energy: -0.003
local terms energy: -59.469668
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -7.902
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: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -83.408020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.408020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.408020 (E_RNA)
where:
Base-Base interactions energy: -38.195
where: short stacking energy: -25.783
Base-Backbone interact. energy: -0.050
local terms energy: -45.163013
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -2.408
tors. eta vs tors. theta energy: -7.489
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: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -73.524532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.524532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.524532 (E_RNA)
where:
Base-Base interactions energy: -29.912
where: short stacking energy: -24.293
Base-Backbone interact. energy: -0.129
local terms energy: -43.483743
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -2.767
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: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -74.350800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.350800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.350800 (E_RNA)
where:
Base-Base interactions energy: -36.010
where: short stacking energy: -15.936
Base-Backbone interact. energy: -0.145
local terms energy: -38.195539
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -8.613
flat angles C4'-P-C4' energy: -8.329
flat angles P-C4'-P energy: -4.168
tors. eta vs tors. theta energy: -4.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -57.712224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.712224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.712224 (E_RNA)
where:
Base-Base interactions energy: -11.553
where: short stacking energy: -11.553
Base-Backbone interact. energy: -0.003
local terms energy: -46.156543
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -8.532
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -59.844010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.844010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.844010 (E_RNA)
where:
Base-Base interactions energy: -25.410
where: short stacking energy: -20.695
Base-Backbone interact. energy: 1.858
local terms energy: -36.292546
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -7.373
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: 1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -181.150130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.150130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.150130 (E_RNA)
where:
Base-Base interactions energy: -120.316
where: short stacking energy: -43.030
Base-Backbone interact. energy: 0.204
local terms energy: -61.037804
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -11.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -170.405794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.405794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.405794 (E_RNA)
where:
Base-Base interactions energy: -110.305
where: short stacking energy: -38.769
Base-Backbone interact. energy: -0.076
local terms energy: -60.024275
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -13.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -178.058602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.058602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.058602 (E_RNA)
where:
Base-Base interactions energy: -114.761
where: short stacking energy: -49.569
Base-Backbone interact. energy: -0.000
local terms energy: -63.297174
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -8.331
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: 4, replica: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -174.498547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.498547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.498547 (E_RNA)
where:
Base-Base interactions energy: -112.524
where: short stacking energy: -48.176
Base-Backbone interact. energy: -0.002
local terms energy: -61.973403
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -9.323
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: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -135.238781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.238781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.238781 (E_RNA)
where:
Base-Base interactions energy: -85.391
where: short stacking energy: -28.273
Base-Backbone interact. energy: -0.142
local terms energy: -49.705555
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -7.263
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -6.349
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: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -76.978506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.978506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.978506 (E_RNA)
where:
Base-Base interactions energy: -31.746
where: short stacking energy: -22.338
Base-Backbone interact. energy: -0.158
local terms energy: -45.074376
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -9.891
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -70.335770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.335770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.335770 (E_RNA)
where:
Base-Base interactions energy: -35.973
where: short stacking energy: -17.428
Base-Backbone interact. energy: -0.142
local terms energy: -34.220991
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -0.370
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: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -69.520900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.520900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.520900 (E_RNA)
where:
Base-Base interactions energy: -21.152
where: short stacking energy: -21.152
Base-Backbone interact. energy: -0.200
local terms energy: -48.169388
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -8.231
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: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -59.512848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.512848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.512848 (E_RNA)
where:
Base-Base interactions energy: -27.474
where: short stacking energy: -7.595
Base-Backbone interact. energy: -0.220
local terms energy: -31.818504
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -7.689
flat angles P-C4'-P energy: -4.732
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: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -61.789942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.789942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.789942 (E_RNA)
where:
Base-Base interactions energy: -29.827
where: short stacking energy: -9.573
Base-Backbone interact. energy: -0.083
local terms energy: -31.880490
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -8.685
flat angles C4'-P-C4' energy: -8.669
flat angles P-C4'-P energy: -0.749
tors. eta vs tors. theta energy: -1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -181.548027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.548027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.548027 (E_RNA)
where:
Base-Base interactions energy: -115.922
where: short stacking energy: -51.748
Base-Backbone interact. energy: -0.008
local terms energy: -65.618444
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -182.014313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.014313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.014313 (E_RNA)
where:
Base-Base interactions energy: -119.734
where: short stacking energy: -44.377
Base-Backbone interact. energy: -0.589
local terms energy: -61.690986
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -17.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -174.370255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.370255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.370255 (E_RNA)
where:
Base-Base interactions energy: -113.996
where: short stacking energy: -50.049
Base-Backbone interact. energy: -0.022
local terms energy: -60.352526
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -11.332
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -168.150652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.150652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.150652 (E_RNA)
where:
Base-Base interactions energy: -105.978
where: short stacking energy: -36.362
Base-Backbone interact. energy: -0.129
local terms energy: -62.044450
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -144.460216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.460216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.460216 (E_RNA)
where:
Base-Base interactions energy: -95.809
where: short stacking energy: -32.537
Base-Backbone interact. energy: -0.074
local terms energy: -48.577069
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -6.198
tors. eta vs tors. theta energy: -8.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -73.025338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.025338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.025338 (E_RNA)
where:
Base-Base interactions energy: -25.839
where: short stacking energy: -19.380
Base-Backbone interact. energy: -0.624
local terms energy: -46.562716
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -8.484
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: 7, replica: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -72.415601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.415601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.415601 (E_RNA)
where:
Base-Base interactions energy: -30.698
where: short stacking energy: -14.802
Base-Backbone interact. energy: -0.131
local terms energy: -41.586094
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -11.490
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -5.666
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: 8, replica: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -65.046904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.046904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.046904 (E_RNA)
where:
Base-Base interactions energy: -26.014
where: short stacking energy: -14.433
Base-Backbone interact. energy: -0.673
local terms energy: -38.359812
where:
bonds (distance) C4'-P energy: -7.749
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -9.227
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: 9, replica: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -62.627904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.627904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.627904 (E_RNA)
where:
Base-Base interactions energy: -25.950
where: short stacking energy: -19.262
Base-Backbone interact. energy: -0.132
local terms energy: -36.546324
where:
bonds (distance) C4'-P energy: -6.288
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -7.962
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -76.581604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.581604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.581604 (E_RNA)
where:
Base-Base interactions energy: -35.803
where: short stacking energy: -18.818
Base-Backbone interact. energy: -0.292
local terms energy: -40.487259
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: 0.185
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: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -183.285196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.285196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.285196 (E_RNA)
where:
Base-Base interactions energy: -119.826
where: short stacking energy: -49.404
Base-Backbone interact. energy: -0.004
local terms energy: -63.455363
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -17.433
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: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -178.851092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.851092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.851092 (E_RNA)
where:
Base-Base interactions energy: -113.891
where: short stacking energy: -47.525
Base-Backbone interact. energy: -0.032
local terms energy: -64.927612
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -18.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -177.449396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.449396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.449396 (E_RNA)
where:
Base-Base interactions energy: -112.300
where: short stacking energy: -49.593
Base-Backbone interact. energy: -0.000
local terms energy: -65.149369
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -9.801
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: 4, replica: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -126.383200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.383200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.383200 (E_RNA)
where:
Base-Base interactions energy: -76.257
where: short stacking energy: -33.961
Base-Backbone interact. energy: -0.103
local terms energy: -50.023345
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -8.296
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -10.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -171.191625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.191625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.191625 (E_RNA)
where:
Base-Base interactions energy: -111.412
where: short stacking energy: -44.334
Base-Backbone interact. energy: -0.042
local terms energy: -59.736795
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -14.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -75.877950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.877950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.877950 (E_RNA)
where:
Base-Base interactions energy: -31.695
where: short stacking energy: -18.018
Base-Backbone interact. energy: -0.462
local terms energy: -43.721096
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -7.800
flat angles P-C4'-P energy: -3.624
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -65.470649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.470649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.470649 (E_RNA)
where:
Base-Base interactions energy: -26.005
where: short stacking energy: -13.497
Base-Backbone interact. energy: 0.342
local terms energy: -39.807746
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -7.423
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -0.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -64.184505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.184505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.184505 (E_RNA)
where:
Base-Base interactions energy: -26.604
where: short stacking energy: -14.965
Base-Backbone interact. energy: -0.462
local terms energy: -37.118357
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -10.757
flat angles C4'-P-C4' energy: -8.092
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: 2.726
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: 1
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -61.364910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.364910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.364910 (E_RNA)
where:
Base-Base interactions energy: -23.644
where: short stacking energy: -19.967
Base-Backbone interact. energy: -0.137
local terms energy: -37.584056
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -5.009
tors. eta vs tors. theta energy: 0.991
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: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -73.243147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.243147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.243147 (E_RNA)
where:
Base-Base interactions energy: -28.197
where: short stacking energy: -24.584
Base-Backbone interact. energy: -0.051
local terms energy: -44.995362
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -11.118
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -6.292
tors. eta vs tors. theta energy: -5.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -183.301112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.301112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.301112 (E_RNA)
where:
Base-Base interactions energy: -121.003
where: short stacking energy: -52.040
Base-Backbone interact. energy: -0.000
local terms energy: -62.297976
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -9.388
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: 2, replica: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -174.806507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.806507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.806507 (E_RNA)
where:
Base-Base interactions energy: -117.455
where: short stacking energy: -37.686
Base-Backbone interact. energy: -0.063
local terms energy: -57.288692
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -12.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -179.553734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.553734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.553734 (E_RNA)
where:
Base-Base interactions energy: -117.167
where: short stacking energy: -38.949
Base-Backbone interact. energy: -1.166
local terms energy: -61.220141
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -11.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -115.731694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.731694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.731694 (E_RNA)
where:
Base-Base interactions energy: -70.015
where: short stacking energy: -22.660
Base-Backbone interact. energy: -0.450
local terms energy: -45.267330
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -8.598
flat angles P-C4'-P energy: -8.393
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: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -168.997503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.997503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.997503 (E_RNA)
where:
Base-Base interactions energy: -116.810
where: short stacking energy: -38.520
Base-Backbone interact. energy: -0.111
local terms energy: -52.076640
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -2.766
tors. eta vs tors. theta energy: -12.469
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: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -77.591265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.591265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.591265 (E_RNA)
where:
Base-Base interactions energy: -34.152
where: short stacking energy: -18.631
Base-Backbone interact. energy: -0.349
local terms energy: -43.090496
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -3.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -62.696313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.696313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.696313 (E_RNA)
where:
Base-Base interactions energy: -25.531
where: short stacking energy: -16.848
Base-Backbone interact. energy: 1.766
local terms energy: -38.932033
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -6.642
flat angles P-C4'-P energy: -4.166
tors. eta vs tors. theta energy: -4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -69.512491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.512491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.512491 (E_RNA)
where:
Base-Base interactions energy: -38.818
where: short stacking energy: -8.156
Base-Backbone interact. energy: -0.224
local terms energy: -30.469955
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -2.795
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: 3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -64.462575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.462575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.462575 (E_RNA)
where:
Base-Base interactions energy: -17.701
where: short stacking energy: -11.537
Base-Backbone interact. energy: 2.255
local terms energy: -49.016547
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -57.252125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.252125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.252125 (E_RNA)
where:
Base-Base interactions energy: -25.945
where: short stacking energy: -17.846
Base-Backbone interact. energy: -0.175
local terms energy: -31.132937
where:
bonds (distance) C4'-P energy: -7.149
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -3.889
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: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -183.147544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.147544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.147544 (E_RNA)
where:
Base-Base interactions energy: -120.337
where: short stacking energy: -41.177
Base-Backbone interact. energy: 0.469
local terms energy: -63.280532
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -175.039830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.039830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.039830 (E_RNA)
where:
Base-Base interactions energy: -112.734
where: short stacking energy: -44.285
Base-Backbone interact. energy: -0.222
local terms energy: -62.083314
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -13.003
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: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -178.411949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.411949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.411949 (E_RNA)
where:
Base-Base interactions energy: -119.704
where: short stacking energy: -43.053
Base-Backbone interact. energy: -0.106
local terms energy: -58.601844
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -2.822
tors. eta vs tors. theta energy: -14.489
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: 113
Temperature: 1.050000
Total energy: -162.323019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.323019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.323019 (E_RNA)
where:
Base-Base interactions energy: -110.228
where: short stacking energy: -40.306
Base-Backbone interact. energy: -0.260
local terms energy: -51.835341
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -6.302
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -15.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -137.304829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.304829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.304829 (E_RNA)
where:
Base-Base interactions energy: -82.223
where: short stacking energy: -22.542
Base-Backbone interact. energy: -0.443
local terms energy: -54.638951
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -7.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -74.857348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.857348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.857348 (E_RNA)
where:
Base-Base interactions energy: -33.092
where: short stacking energy: -21.667
Base-Backbone interact. energy: -0.106
local terms energy: -41.659764
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -3.157
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: 113
Temperature: 1.200000
Total energy: -73.294835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.294835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.294835 (E_RNA)
where:
Base-Base interactions energy: -22.292
where: short stacking energy: -15.941
Base-Backbone interact. energy: -0.091
local terms energy: -50.911480
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -8.329
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: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -79.297741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.297741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.297741 (E_RNA)
where:
Base-Base interactions energy: -33.699
where: short stacking energy: -18.063
Base-Backbone interact. energy: -0.327
local terms energy: -45.272506
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -7.131
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: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -61.455242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.455242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.455242 (E_RNA)
where:
Base-Base interactions energy: -17.325
where: short stacking energy: -17.325
Base-Backbone interact. energy: -0.013
local terms energy: -44.116855
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -8.616
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: 10, replica: 1
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -57.355570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.355570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.355570 (E_RNA)
where:
Base-Base interactions energy: -15.656
where: short stacking energy: -9.226
Base-Backbone interact. energy: -0.180
local terms energy: -41.519794
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -1.010
tors. eta vs tors. theta energy: -3.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -179.579906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.579906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.579906 (E_RNA)
where:
Base-Base interactions energy: -119.377
where: short stacking energy: -46.853
Base-Backbone interact. energy: -0.667
local terms energy: -59.535714
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -7.280
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -178.381906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.381906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.381906 (E_RNA)
where:
Base-Base interactions energy: -121.528
where: short stacking energy: -47.512
Base-Backbone interact. energy: -0.022
local terms energy: -56.831631
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -168.611342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.611342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.611342 (E_RNA)
where:
Base-Base interactions energy: -111.213
where: short stacking energy: -43.904
Base-Backbone interact. energy: -0.004
local terms energy: -57.394561
where:
bonds (distance) C4'-P energy: -7.765
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -14.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -172.146299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.146299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.146299 (E_RNA)
where:
Base-Base interactions energy: -113.024
where: short stacking energy: -41.681
Base-Backbone interact. energy: -0.014
local terms energy: -59.109099
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -6.027
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: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -72.004517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.004517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.004517 (E_RNA)
where:
Base-Base interactions energy: -27.230
where: short stacking energy: -14.750
Base-Backbone interact. energy: -0.153
local terms energy: -44.620855
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -8.892
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: 0.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -160.212612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.212612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.212612 (E_RNA)
where:
Base-Base interactions energy: -106.420
where: short stacking energy: -43.058
Base-Backbone interact. energy: -0.103
local terms energy: -53.689430
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -13.688
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: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -127.922079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.922079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.922079 (E_RNA)
where:
Base-Base interactions energy: -86.929
where: short stacking energy: -29.383
Base-Backbone interact. energy: -0.681
local terms energy: -40.312312
where:
bonds (distance) C4'-P energy: -6.005
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -9.503
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -10.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -57.834203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.834203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.834203 (E_RNA)
where:
Base-Base interactions energy: -27.099
where: short stacking energy: -14.752
Base-Backbone interact. energy: -0.247
local terms energy: -30.487696
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -7.812
flat angles C4'-P-C4' energy: -6.026
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -73.491677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.491677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.491677 (E_RNA)
where:
Base-Base interactions energy: -35.287
where: short stacking energy: -16.249
Base-Backbone interact. energy: 0.154
local terms energy: -38.358691
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -8.608
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -58.365927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.365927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.365927 (E_RNA)
where:
Base-Base interactions energy: -23.131
where: short stacking energy: -9.970
Base-Backbone interact. energy: -0.072
local terms energy: -35.162625
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -5.105
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: 3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -178.814037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.814037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.814037 (E_RNA)
where:
Base-Base interactions energy: -112.805
where: short stacking energy: -48.716
Base-Backbone interact. energy: -0.596
local terms energy: -65.413687
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -10.955
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: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -172.660203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.660203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.660203 (E_RNA)
where:
Base-Base interactions energy: -112.574
where: short stacking energy: -43.066
Base-Backbone interact. energy: 0.235
local terms energy: -60.321379
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -15.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -167.213770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.213770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.213770 (E_RNA)
where:
Base-Base interactions energy: -111.384
where: short stacking energy: -38.832
Base-Backbone interact. energy: -0.021
local terms energy: -55.808770
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -7.429
flat angles P-C4'-P energy: -6.935
tors. eta vs tors. theta energy: -16.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -166.950588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.950588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.950588 (E_RNA)
where:
Base-Base interactions energy: -106.395
where: short stacking energy: -39.514
Base-Backbone interact. energy: -0.043
local terms energy: -60.512670
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -13.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -93.110172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.110172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.110172 (E_RNA)
where:
Base-Base interactions energy: -51.193
where: short stacking energy: -31.538
Base-Backbone interact. energy: -0.262
local terms energy: -41.655384
where:
bonds (distance) C4'-P energy: -9.376
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -5.720
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: -9.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -157.417874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.417874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.417874 (E_RNA)
where:
Base-Base interactions energy: -101.646
where: short stacking energy: -42.822
Base-Backbone interact. energy: -0.845
local terms energy: -54.926674
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -13.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -99.414277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.414277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.414277 (E_RNA)
where:
Base-Base interactions energy: -50.216
where: short stacking energy: -18.341
Base-Backbone interact. energy: -0.128
local terms energy: -49.070563
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -9.866
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: 8, replica: 1
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -70.515669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.515669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.515669 (E_RNA)
where:
Base-Base interactions energy: -26.618
where: short stacking energy: -16.112
Base-Backbone interact. energy: -0.095
local terms energy: -43.803147
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -54.583074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.583074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.583074 (E_RNA)
where:
Base-Base interactions energy: -16.713
where: short stacking energy: -5.965
Base-Backbone interact. energy: -0.199
local terms energy: -37.671289
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -7.691
flat angles P-C4'-P energy: -9.959
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: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -61.172509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.172509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.172509 (E_RNA)
where:
Base-Base interactions energy: -19.470
where: short stacking energy: -19.470
Base-Backbone interact. energy: 0.280
local terms energy: -41.982182
where:
bonds (distance) C4'-P energy: -8.332
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -3.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -177.913734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.913734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.913734 (E_RNA)
where:
Base-Base interactions energy: -113.103
where: short stacking energy: -42.588
Base-Backbone interact. energy: -0.921
local terms energy: -63.890173
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -177.303931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.303931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.303931 (E_RNA)
where:
Base-Base interactions energy: -118.368
where: short stacking energy: -41.540
Base-Backbone interact. energy: -0.083
local terms energy: -58.853168
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -7.160
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: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -177.544646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.544646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.544646 (E_RNA)
where:
Base-Base interactions energy: -119.876
where: short stacking energy: -49.342
Base-Backbone interact. energy: -0.036
local terms energy: -57.633044
where:
bonds (distance) C4'-P energy: -8.809
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -17.179
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: 7
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -150.199526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.199526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.199526 (E_RNA)
where:
Base-Base interactions energy: -94.877
where: short stacking energy: -38.583
Base-Backbone interact. energy: 0.568
local terms energy: -55.891099
where:
bonds (distance) C4'-P energy: -9.243
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -10.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -140.134599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.134599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.134599 (E_RNA)
where:
Base-Base interactions energy: -84.872
where: short stacking energy: -36.989
Base-Backbone interact. energy: -0.068
local terms energy: -55.194394
where:
bonds (distance) C4'-P energy: -8.771
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -11.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -108.115105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.115105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.115105 (E_RNA)
where:
Base-Base interactions energy: -64.833
where: short stacking energy: -20.059
Base-Backbone interact. energy: -0.370
local terms energy: -42.912437
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: 3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -75.776936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.776936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.776936 (E_RNA)
where:
Base-Base interactions energy: -36.202
where: short stacking energy: -22.738
Base-Backbone interact. energy: 0.020
local terms energy: -39.594769
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -7.604
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -4.277
tors. eta vs tors. theta energy: -2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -64.372571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.372571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.372571 (E_RNA)
where:
Base-Base interactions energy: -28.184
where: short stacking energy: -9.879
Base-Backbone interact. energy: -0.242
local terms energy: -35.946200
where:
bonds (distance) C4'-P energy: -9.823
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -6.102
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: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -54.968433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.968433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.968433 (E_RNA)
where:
Base-Base interactions energy: -15.352
where: short stacking energy: -7.080
Base-Backbone interact. energy: -0.165
local terms energy: -39.452050
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -8.458
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: 2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -60.658304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.658304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.658304 (E_RNA)
where:
Base-Base interactions energy: -26.615
where: short stacking energy: -14.663
Base-Backbone interact. energy: -0.689
local terms energy: -33.353921
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -5.364
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -0.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -181.157366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.157366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.157366 (E_RNA)
where:
Base-Base interactions energy: -115.802
where: short stacking energy: -42.475
Base-Backbone interact. energy: 0.201
local terms energy: -65.556183
where:
bonds (distance) C4'-P energy: -10.552
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -173.242832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.242832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.242832 (E_RNA)
where:
Base-Base interactions energy: -113.748
where: short stacking energy: -48.209
Base-Backbone interact. energy: -0.777
local terms energy: -58.717080
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -9.971
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -9.499
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: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -174.933666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.933666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.933666 (E_RNA)
where:
Base-Base interactions energy: -113.136
where: short stacking energy: -44.558
Base-Backbone interact. energy: -0.885
local terms energy: -60.912507
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -17.944
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: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -170.978469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.978469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.978469 (E_RNA)
where:
Base-Base interactions energy: -113.281
where: short stacking energy: -43.772
Base-Backbone interact. energy: -0.000
local terms energy: -57.696996
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -131.344526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.344526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.344526 (E_RNA)
where:
Base-Base interactions energy: -73.609
where: short stacking energy: -28.731
Base-Backbone interact. energy: -0.099
local terms energy: -57.636615
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -11.040
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: 1
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -80.444166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.444166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.444166 (E_RNA)
where:
Base-Base interactions energy: -34.111
where: short stacking energy: -21.945
Base-Backbone interact. energy: -0.068
local terms energy: -46.265316
where:
bonds (distance) C4'-P energy: -9.164
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -8.965
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -73.584989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.584989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.584989 (E_RNA)
where:
Base-Base interactions energy: -31.048
where: short stacking energy: -23.954
Base-Backbone interact. energy: -0.052
local terms energy: -42.485121
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: 0.939
tors. eta vs tors. theta energy: -3.904
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: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -70.046687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.046687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.046687 (E_RNA)
where:
Base-Base interactions energy: -26.936
where: short stacking energy: -10.583
Base-Backbone interact. energy: 0.728
local terms energy: -43.838767
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -8.089
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: 9, replica: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -66.799323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.799323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.799323 (E_RNA)
where:
Base-Base interactions energy: -33.926
where: short stacking energy: -15.202
Base-Backbone interact. energy: -0.124
local terms energy: -32.749156
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -6.604
flat angles P-C4'-P energy: -0.342
tors. eta vs tors. theta energy: 0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -59.316794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.316794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.316794 (E_RNA)
where:
Base-Base interactions energy: -21.192
where: short stacking energy: -7.069
Base-Backbone interact. energy: -0.290
local terms energy: -37.835513
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: 0.463
tors. eta vs tors. theta energy: -0.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -181.903531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.903531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.903531 (E_RNA)
where:
Base-Base interactions energy: -118.821
where: short stacking energy: -48.213
Base-Backbone interact. energy: -0.012
local terms energy: -63.070714
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -15.289
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: 2, replica: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -183.081234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.081234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.081234 (E_RNA)
where:
Base-Base interactions energy: -120.482
where: short stacking energy: -48.970
Base-Backbone interact. energy: -0.013
local terms energy: -62.585530
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -17.648
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: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -177.109228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.109228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.109228 (E_RNA)
where:
Base-Base interactions energy: -114.261
where: short stacking energy: -44.931
Base-Backbone interact. energy: 0.366
local terms energy: -63.214873
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -10.836
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -16.691
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: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -149.939368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.939368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.939368 (E_RNA)
where:
Base-Base interactions energy: -97.850
where: short stacking energy: -33.138
Base-Backbone interact. energy: -0.222
local terms energy: -51.868111
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -5.060
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -143.491355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.491355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.491355 (E_RNA)
where:
Base-Base interactions energy: -86.943
where: short stacking energy: -29.486
Base-Backbone interact. energy: -0.541
local terms energy: -56.007892
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -4.381
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: 6, replica: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -69.740618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.740618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.740618 (E_RNA)
where:
Base-Base interactions energy: -21.270
where: short stacking energy: -21.270
Base-Backbone interact. energy: -0.137
local terms energy: -48.333587
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -73.555437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.555437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.555437 (E_RNA)
where:
Base-Base interactions energy: -25.513
where: short stacking energy: -15.578
Base-Backbone interact. energy: -0.021
local terms energy: -48.020576
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -9.286
flat angles P-C4'-P energy: -10.113
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: 4
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -69.924013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.924013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.924013 (E_RNA)
where:
Base-Base interactions energy: -29.251
where: short stacking energy: -12.280
Base-Backbone interact. energy: -1.094
local terms energy: -39.578797
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -6.266
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: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -57.352610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.352610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.352610 (E_RNA)
where:
Base-Base interactions energy: -28.422
where: short stacking energy: -5.590
Base-Backbone interact. energy: 0.021
local terms energy: -28.951452
where:
bonds (distance) C4'-P energy: -2.716
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: 4.063
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: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -56.072619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.072619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.072619 (E_RNA)
where:
Base-Base interactions energy: -24.070
where: short stacking energy: -9.282
Base-Backbone interact. energy: -1.196
local terms energy: -30.806540
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -7.288
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: 5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -178.406184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.406184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.406184 (E_RNA)
where:
Base-Base interactions energy: -117.966
where: short stacking energy: -49.755
Base-Backbone interact. energy: -0.021
local terms energy: -60.418644
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -180.051465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.051465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.051465 (E_RNA)
where:
Base-Base interactions energy: -110.866
where: short stacking energy: -47.483
Base-Backbone interact. energy: -0.026
local terms energy: -69.159595
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -179.165636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.165636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.165636 (E_RNA)
where:
Base-Base interactions energy: -115.936
where: short stacking energy: -48.671
Base-Backbone interact. energy: -0.291
local terms energy: -62.938437
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -16.843
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: 4, replica: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -169.202056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.202056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.202056 (E_RNA)
where:
Base-Base interactions energy: -108.710
where: short stacking energy: -40.905
Base-Backbone interact. energy: -0.001
local terms energy: -60.491044
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -11.678
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -161.596000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.596000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.596000 (E_RNA)
where:
Base-Base interactions energy: -104.520
where: short stacking energy: -43.890
Base-Backbone interact. energy: -0.003
local terms energy: -57.073129
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -7.536
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -80.727375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.727375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.727375 (E_RNA)
where:
Base-Base interactions energy: -38.524
where: short stacking energy: -28.286
Base-Backbone interact. energy: -0.131
local terms energy: -42.073073
where:
bonds (distance) C4'-P energy: -7.504
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -3.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -71.365409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.365409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.365409 (E_RNA)
where:
Base-Base interactions energy: -23.009
where: short stacking energy: -12.395
Base-Backbone interact. energy: 0.087
local terms energy: -48.443578
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: 1.858
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: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -73.675311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.675311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.675311 (E_RNA)
where:
Base-Base interactions energy: -35.412
where: short stacking energy: -5.533
Base-Backbone interact. energy: -0.239
local terms energy: -38.024666
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -5.678
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -53.706664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.706664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.706664 (E_RNA)
where:
Base-Base interactions energy: -13.110
where: short stacking energy: -8.373
Base-Backbone interact. energy: -0.102
local terms energy: -40.495194
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -9.608
flat angles P-C4'-P energy: -5.865
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: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -60.803356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.803356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.803356 (E_RNA)
where:
Base-Base interactions energy: -18.577
where: short stacking energy: -17.856
Base-Backbone interact. energy: -0.245
local terms energy: -41.980627
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -10.568
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -1.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -180.281673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.281673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.281673 (E_RNA)
where:
Base-Base interactions energy: -117.978
where: short stacking energy: -48.587
Base-Backbone interact. energy: -0.045
local terms energy: -62.259037
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -176.096188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.096188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.096188 (E_RNA)
where:
Base-Base interactions energy: -117.796
where: short stacking energy: -44.221
Base-Backbone interact. energy: -0.147
local terms energy: -58.153162
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -14.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -174.811451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.811451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.811451 (E_RNA)
where:
Base-Base interactions energy: -117.875
where: short stacking energy: -47.423
Base-Backbone interact. energy: -0.000
local terms energy: -56.936080
where:
bonds (distance) C4'-P energy: -6.561
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -174.409257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.409257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.409257 (E_RNA)
where:
Base-Base interactions energy: -113.292
where: short stacking energy: -46.788
Base-Backbone interact. energy: -0.003
local terms energy: -61.113874
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -5.627
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -133.760977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.760977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.760977 (E_RNA)
where:
Base-Base interactions energy: -83.695
where: short stacking energy: -31.111
Base-Backbone interact. energy: -0.053
local terms energy: -50.012861
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -7.351
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -7.664
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: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -80.209735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.209735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.209735 (E_RNA)
where:
Base-Base interactions energy: -36.771
where: short stacking energy: -22.367
Base-Backbone interact. energy: -1.795
local terms energy: -41.643753
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -11.549
flat angles C4'-P-C4' energy: -6.677
flat angles P-C4'-P energy: -5.197
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: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -79.000138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.000138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.000138 (E_RNA)
where:
Base-Base interactions energy: -45.870
where: short stacking energy: -8.602
Base-Backbone interact. energy: -0.307
local terms energy: -32.823363
where:
bonds (distance) C4'-P energy: -9.600
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -6.906
flat angles P-C4'-P energy: -3.110
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: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -65.576023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.576023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.576023 (E_RNA)
where:
Base-Base interactions energy: -23.455
where: short stacking energy: -17.681
Base-Backbone interact. energy: -0.797
local terms energy: -41.324223
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -3.348
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -68.408537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.408537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.408537 (E_RNA)
where:
Base-Base interactions energy: -32.986
where: short stacking energy: -18.914
Base-Backbone interact. energy: -0.759
local terms energy: -34.664337
where:
bonds (distance) C4'-P energy: -9.166
bonds (distance) P-C4' energy: -9.935
flat angles C4'-P-C4' energy: -8.791
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: 1.032
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: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -68.413123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.413123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.413123 (E_RNA)
where:
Base-Base interactions energy: -28.456
where: short stacking energy: -7.451
Base-Backbone interact. energy: -1.080
local terms energy: -38.877176
where:
bonds (distance) C4'-P energy: -8.088
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -0.155
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: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -178.597198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.597198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.597198 (E_RNA)
where:
Base-Base interactions energy: -115.953
where: short stacking energy: -48.900
Base-Backbone interact. energy: 0.138
local terms energy: -62.781539
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -11.952
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: 9
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -175.206414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.206414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.206414 (E_RNA)
where:
Base-Base interactions energy: -118.695
where: short stacking energy: -37.458
Base-Backbone interact. energy: -0.016
local terms energy: -56.495896
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -13.662
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: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -176.082504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.082504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.082504 (E_RNA)
where:
Base-Base interactions energy: -117.863
where: short stacking energy: -44.704
Base-Backbone interact. energy: -0.064
local terms energy: -58.154758
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -12.000
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -12.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -170.110913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.110913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.110913 (E_RNA)
where:
Base-Base interactions energy: -118.337
where: short stacking energy: -48.507
Base-Backbone interact. energy: -0.055
local terms energy: -51.719422
where:
bonds (distance) C4'-P energy: -6.602
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -8.769
flat angles P-C4'-P energy: -7.799
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: 5, replica: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -136.877652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.877652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.877652 (E_RNA)
where:
Base-Base interactions energy: -84.253
where: short stacking energy: -34.871
Base-Backbone interact. energy: -0.108
local terms energy: -52.516914
where:
bonds (distance) C4'-P energy: -8.470
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -93.869714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.869714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.869714 (E_RNA)
where:
Base-Base interactions energy: -49.847
where: short stacking energy: -17.125
Base-Backbone interact. energy: -0.235
local terms energy: -43.788375
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -7.587
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -5.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -68.246142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.246142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.246142 (E_RNA)
where:
Base-Base interactions energy: -32.323
where: short stacking energy: -12.814
Base-Backbone interact. energy: -0.162
local terms energy: -35.761595
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: 4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -68.573963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.573963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.573963 (E_RNA)
where:
Base-Base interactions energy: -24.571
where: short stacking energy: -21.035
Base-Backbone interact. energy: -0.017
local terms energy: -43.985501
where:
bonds (distance) C4'-P energy: -6.455
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -59.092702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.092702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.092702 (E_RNA)
where:
Base-Base interactions energy: -14.981
where: short stacking energy: -12.740
Base-Backbone interact. energy: -0.203
local terms energy: -43.909455
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -4.396
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -52.497269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.497269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.497269 (E_RNA)
where:
Base-Base interactions energy: -11.920
where: short stacking energy: -8.059
Base-Backbone interact. energy: -0.296
local terms energy: -40.281260
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: 2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -177.907323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.907323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.907323 (E_RNA)
where:
Base-Base interactions energy: -115.927
where: short stacking energy: -48.521
Base-Backbone interact. energy: -0.008
local terms energy: -61.972284
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -10.349
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: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -174.717147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.717147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.717147 (E_RNA)
where:
Base-Base interactions energy: -115.416
where: short stacking energy: -35.158
Base-Backbone interact. energy: -0.118
local terms energy: -59.183566
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -177.453358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.453358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.453358 (E_RNA)
where:
Base-Base interactions energy: -116.665
where: short stacking energy: -44.948
Base-Backbone interact. energy: -0.004
local terms energy: -60.784358
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -8.918
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: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -173.095578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.095578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.095578 (E_RNA)
where:
Base-Base interactions energy: -111.665
where: short stacking energy: -48.712
Base-Backbone interact. energy: -0.004
local terms energy: -61.426805
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -15.300
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: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -136.390774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.390774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.390774 (E_RNA)
where:
Base-Base interactions energy: -86.075
where: short stacking energy: -35.700
Base-Backbone interact. energy: -0.025
local terms energy: -50.291531
where:
bonds (distance) C4'-P energy: -7.462
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -9.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -101.019180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.019180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.019180 (E_RNA)
where:
Base-Base interactions energy: -51.052
where: short stacking energy: -18.079
Base-Backbone interact. energy: -0.005
local terms energy: -49.961753
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -8.110
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -10.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -80.659947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.659947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.659947 (E_RNA)
where:
Base-Base interactions energy: -44.766
where: short stacking energy: -8.722
Base-Backbone interact. energy: -0.051
local terms energy: -35.842713
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -7.245
flat angles P-C4'-P energy: -2.993
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: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -100.468830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.468830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.468830 (E_RNA)
where:
Base-Base interactions energy: -54.538
where: short stacking energy: -17.339
Base-Backbone interact. energy: 0.458
local terms energy: -46.388795
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -7.193
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: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -60.255117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.255117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.255117 (E_RNA)
where:
Base-Base interactions energy: -17.708
where: short stacking energy: -11.352
Base-Backbone interact. energy: -0.014
local terms energy: -42.533591
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -8.355
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -59.945284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.945284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.945284 (E_RNA)
where:
Base-Base interactions energy: -26.281
where: short stacking energy: -19.622
Base-Backbone interact. energy: -0.060
local terms energy: -33.604291
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -3.977
flat angles P-C4'-P energy: -3.917
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -179.314001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.314001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.314001 (E_RNA)
where:
Base-Base interactions energy: -116.900
where: short stacking energy: -47.084
Base-Backbone interact. energy: -0.035
local terms energy: -62.378508
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -172.931442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.931442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.931442 (E_RNA)
where:
Base-Base interactions energy: -111.777
where: short stacking energy: -36.902
Base-Backbone interact. energy: -1.061
local terms energy: -60.093890
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -11.954
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: 3, replica: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -179.743900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.743900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.743900 (E_RNA)
where:
Base-Base interactions energy: -118.264
where: short stacking energy: -48.251
Base-Backbone interact. energy: -0.221
local terms energy: -61.259326
where:
bonds (distance) C4'-P energy: -6.958
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -19.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -175.469903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.469903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.469903 (E_RNA)
where:
Base-Base interactions energy: -112.332
where: short stacking energy: -46.185
Base-Backbone interact. energy: -0.064
local terms energy: -63.073897
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -8.674
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: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -127.343480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.343480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.343480 (E_RNA)
where:
Base-Base interactions energy: -75.675
where: short stacking energy: -33.825
Base-Backbone interact. energy: -0.099
local terms energy: -51.569803
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -8.809
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -10.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -75.297788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.297788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.297788 (E_RNA)
where:
Base-Base interactions energy: -37.304
where: short stacking energy: -11.323
Base-Backbone interact. energy: 0.184
local terms energy: -38.178446
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -9.636
flat angles P-C4'-P energy: -4.210
tors. eta vs tors. theta energy: -2.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -67.886491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.886491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.886491 (E_RNA)
where:
Base-Base interactions energy: -29.445
where: short stacking energy: -24.421
Base-Backbone interact. energy: -0.056
local terms energy: -38.385794
where:
bonds (distance) C4'-P energy: -9.463
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -7.631
flat angles P-C4'-P energy: -4.215
tors. eta vs tors. theta energy: -2.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -73.669836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.669836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.669836 (E_RNA)
where:
Base-Base interactions energy: -26.852
where: short stacking energy: -14.355
Base-Backbone interact. energy: -0.235
local terms energy: -46.582525
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -3.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -64.490742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.490742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.490742 (E_RNA)
where:
Base-Base interactions energy: -38.692
where: short stacking energy: -11.559
Base-Backbone interact. energy: 1.858
local terms energy: -27.656761
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -3.887
flat angles C4'-P-C4' energy: -6.984
flat angles P-C4'-P energy: -6.524
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: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -63.094203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.094203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.094203 (E_RNA)
where:
Base-Base interactions energy: -26.647
where: short stacking energy: -14.255
Base-Backbone interact. energy: -0.241
local terms energy: -36.205940
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -3.800
tors. eta vs tors. theta energy: 1.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -182.608617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.608617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.608617 (E_RNA)
where:
Base-Base interactions energy: -114.400
where: short stacking energy: -46.563
Base-Backbone interact. energy: 0.864
local terms energy: -69.072601
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -176.935425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.935425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.935425 (E_RNA)
where:
Base-Base interactions energy: -115.286
where: short stacking energy: -44.176
Base-Backbone interact. energy: -0.239
local terms energy: -61.410220
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -12.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -178.957622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.957622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.957622 (E_RNA)
where:
Base-Base interactions energy: -112.480
where: short stacking energy: -45.482
Base-Backbone interact. energy: -0.309
local terms energy: -66.168071
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -11.536
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: 4, replica: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -181.820104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.820104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.820104 (E_RNA)
where:
Base-Base interactions energy: -113.157
where: short stacking energy: -46.153
Base-Backbone interact. energy: -0.033
local terms energy: -68.630793
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -127.251528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.251528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.251528 (E_RNA)
where:
Base-Base interactions energy: -69.908
where: short stacking energy: -33.519
Base-Backbone interact. energy: -0.042
local terms energy: -57.301207
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -12.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -70.604699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.604699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.604699 (E_RNA)
where:
Base-Base interactions energy: -31.036
where: short stacking energy: -13.215
Base-Backbone interact. energy: -0.268
local terms energy: -39.300307
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: 1.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -66.822228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.822228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.822228 (E_RNA)
where:
Base-Base interactions energy: -18.898
where: short stacking energy: -9.663
Base-Backbone interact. energy: 0.710
local terms energy: -48.634278
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -1.553
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: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -59.811334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.811334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.811334 (E_RNA)
where:
Base-Base interactions energy: -24.360
where: short stacking energy: -19.476
Base-Backbone interact. energy: 0.858
local terms energy: -36.309281
where:
bonds (distance) C4'-P energy: -7.062
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -5.191
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: 9, replica: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -58.494545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.494545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.494545 (E_RNA)
where:
Base-Base interactions energy: -21.763
where: short stacking energy: -14.830
Base-Backbone interact. energy: -0.588
local terms energy: -36.144271
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -11.351
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -2.872
tors. eta vs tors. theta energy: -0.980
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: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -59.136628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.136628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.136628 (E_RNA)
where:
Base-Base interactions energy: -20.390
where: short stacking energy: -17.799
Base-Backbone interact. energy: -0.121
local terms energy: -38.625719
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -5.443
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -0.418
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: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -184.496450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.496450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.496450 (E_RNA)
where:
Base-Base interactions energy: -117.666
where: short stacking energy: -49.267
Base-Backbone interact. energy: -0.035
local terms energy: -66.795158
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -17.705
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: 125
Temperature: 0.950000
Total energy: -179.015175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.015175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.015175 (E_RNA)
where:
Base-Base interactions energy: -111.603
where: short stacking energy: -48.106
Base-Backbone interact. energy: -0.000
local terms energy: -67.412148
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -174.736292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.736292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.736292 (E_RNA)
where:
Base-Base interactions energy: -115.302
where: short stacking energy: -39.995
Base-Backbone interact. energy: -0.001
local terms energy: -59.433191
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -7.491
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -18.135
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: 4, replica: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -172.066450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.066450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.066450 (E_RNA)
where:
Base-Base interactions energy: -112.434
where: short stacking energy: -43.073
Base-Backbone interact. energy: -0.015
local terms energy: -59.617762
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -164.769321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.769321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.769321 (E_RNA)
where:
Base-Base interactions energy: -105.813
where: short stacking energy: -42.733
Base-Backbone interact. energy: -0.025
local terms energy: -58.930978
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -9.044
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -78.604628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.604628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.604628 (E_RNA)
where:
Base-Base interactions energy: -27.124
where: short stacking energy: -27.124
Base-Backbone interact. energy: -0.086
local terms energy: -51.394877
where:
bonds (distance) C4'-P energy: -7.803
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -9.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -72.744255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.744255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.744255 (E_RNA)
where:
Base-Base interactions energy: -28.902
where: short stacking energy: -26.058
Base-Backbone interact. energy: -0.070
local terms energy: -43.771875
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -65.023428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.023428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.023428 (E_RNA)
where:
Base-Base interactions energy: -24.052
where: short stacking energy: -10.483
Base-Backbone interact. energy: -0.373
local terms energy: -40.598506
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -10.413
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -62.345729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.345729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.345729 (E_RNA)
where:
Base-Base interactions energy: -27.120
where: short stacking energy: -17.696
Base-Backbone interact. energy: -0.048
local terms energy: -35.177487
where:
bonds (distance) C4'-P energy: -8.739
bonds (distance) P-C4' energy: -9.385
flat angles C4'-P-C4' energy: -4.724
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -64.654019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.654019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.654019 (E_RNA)
where:
Base-Base interactions energy: -23.908
where: short stacking energy: -23.908
Base-Backbone interact. energy: -0.131
local terms energy: -40.615045
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -3.730
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -180.354842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.354842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.354842 (E_RNA)
where:
Base-Base interactions energy: -117.388
where: short stacking energy: -49.970
Base-Backbone interact. energy: -0.002
local terms energy: -62.964354
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -19.516
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: 2
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -178.467955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.467955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.467955 (E_RNA)
where:
Base-Base interactions energy: -117.128
where: short stacking energy: -44.051
Base-Backbone interact. energy: -0.158
local terms energy: -61.181994
where:
bonds (distance) C4'-P energy: -10.186
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -12.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -174.221632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.221632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.221632 (E_RNA)
where:
Base-Base interactions energy: -113.097
where: short stacking energy: -43.439
Base-Backbone interact. energy: -0.066
local terms energy: -61.058849
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -14.294
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: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -167.457707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.457707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.457707 (E_RNA)
where:
Base-Base interactions energy: -110.819
where: short stacking energy: -47.239
Base-Backbone interact. energy: -0.012
local terms energy: -56.627642
where:
bonds (distance) C4'-P energy: -9.437
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -8.355
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: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -174.193467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.193467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.193467 (E_RNA)
where:
Base-Base interactions energy: -114.176
where: short stacking energy: -45.387
Base-Backbone interact. energy: -0.032
local terms energy: -59.986060
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -70.063296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.063296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.063296 (E_RNA)
where:
Base-Base interactions energy: -22.918
where: short stacking energy: -19.843
Base-Backbone interact. energy: -0.019
local terms energy: -47.126599
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -7.768
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: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -67.414959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.414959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.414959 (E_RNA)
where:
Base-Base interactions energy: -23.604
where: short stacking energy: -23.449
Base-Backbone interact. energy: -0.020
local terms energy: -43.790172
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -6.296
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -63.895791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.895791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.895791 (E_RNA)
where:
Base-Base interactions energy: -29.337
where: short stacking energy: -7.863
Base-Backbone interact. energy: -1.061
local terms energy: -33.497953
where:
bonds (distance) C4'-P energy: -7.016
bonds (distance) P-C4' energy: -7.273
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -8.465
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: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -57.952795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.952795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.952795 (E_RNA)
where:
Base-Base interactions energy: -20.219
where: short stacking energy: -15.885
Base-Backbone interact. energy: -0.521
local terms energy: -37.212341
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -9.635
flat angles C4'-P-C4' energy: -6.233
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -3.100
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: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -71.922218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.922218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.922218 (E_RNA)
where:
Base-Base interactions energy: -24.146
where: short stacking energy: -14.362
Base-Backbone interact. energy: -0.264
local terms energy: -47.512226
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -9.857
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: 1, replica: 3
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -177.826373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.826373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.826373 (E_RNA)
where:
Base-Base interactions energy: -111.807
where: short stacking energy: -43.085
Base-Backbone interact. energy: -0.172
local terms energy: -65.847524
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -14.768
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: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -181.619297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.619297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.619297 (E_RNA)
where:
Base-Base interactions energy: -115.668
where: short stacking energy: -47.243
Base-Backbone interact. energy: -0.794
local terms energy: -65.157406
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -172.117339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.117339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.117339 (E_RNA)
where:
Base-Base interactions energy: -112.454
where: short stacking energy: -34.656
Base-Backbone interact. energy: -0.058
local terms energy: -59.605408
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -9.889
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -10.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -176.008623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.008623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.008623 (E_RNA)
where:
Base-Base interactions energy: -112.592
where: short stacking energy: -40.061
Base-Backbone interact. energy: -0.057
local terms energy: -63.359358
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -8.030
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: 5, replica: 7
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -136.826704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.826704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.826704 (E_RNA)
where:
Base-Base interactions energy: -87.139
where: short stacking energy: -36.953
Base-Backbone interact. energy: -0.064
local terms energy: -49.624539
where:
bonds (distance) C4'-P energy: -4.826
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -10.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -69.741313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.741313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.741313 (E_RNA)
where:
Base-Base interactions energy: -22.172
where: short stacking energy: -14.844
Base-Backbone interact. energy: -0.091
local terms energy: -47.478072
where:
bonds (distance) C4'-P energy: -10.469
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -72.058397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.058397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.058397 (E_RNA)
where:
Base-Base interactions energy: -22.910
where: short stacking energy: -22.910
Base-Backbone interact. energy: -0.011
local terms energy: -49.137645
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -5.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -67.078000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.078000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.078000 (E_RNA)
where:
Base-Base interactions energy: -26.298
where: short stacking energy: -13.701
Base-Backbone interact. energy: -0.133
local terms energy: -40.647124
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -10.245
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: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -64.861332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.861332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.861332 (E_RNA)
where:
Base-Base interactions energy: -30.190
where: short stacking energy: -15.109
Base-Backbone interact. energy: 0.300
local terms energy: -34.971747
where:
bonds (distance) C4'-P energy: -8.239
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -2.063
tors. eta vs tors. theta energy: -1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -55.806407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.806407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.806407 (E_RNA)
where:
Base-Base interactions energy: -24.930
where: short stacking energy: -7.856
Base-Backbone interact. energy: -0.123
local terms energy: -30.752917
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -3.004
flat angles P-C4'-P energy: -4.369
tors. eta vs tors. theta energy: 0.750
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: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -183.482562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.482562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.482562 (E_RNA)
where:
Base-Base interactions energy: -119.280
where: short stacking energy: -46.964
Base-Backbone interact. energy: -0.423
local terms energy: -63.779697
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -176.497820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.497820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.497820 (E_RNA)
where:
Base-Base interactions energy: -114.074
where: short stacking energy: -44.520
Base-Backbone interact. energy: -0.053
local terms energy: -62.371288
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -8.760
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: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -175.184316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.184316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.184316 (E_RNA)
where:
Base-Base interactions energy: -116.389
where: short stacking energy: -47.573
Base-Backbone interact. energy: -0.005
local terms energy: -58.790415
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -9.605
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: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -166.929004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.929004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.929004 (E_RNA)
where:
Base-Base interactions energy: -111.753
where: short stacking energy: -49.009
Base-Backbone interact. energy: -0.011
local terms energy: -55.165409
where:
bonds (distance) C4'-P energy: -4.523
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -15.993
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: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -153.386961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.386961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.386961 (E_RNA)
where:
Base-Base interactions energy: -101.178
where: short stacking energy: -30.361
Base-Backbone interact. energy: -0.144
local terms energy: -52.065591
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -8.074
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: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -78.796425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.796425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.796425 (E_RNA)
where:
Base-Base interactions energy: -35.197
where: short stacking energy: -20.092
Base-Backbone interact. energy: -0.149
local terms energy: -43.449955
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -7.685
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: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -86.406253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.406253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.406253 (E_RNA)
where:
Base-Base interactions energy: -46.124
where: short stacking energy: -19.213
Base-Backbone interact. energy: -0.004
local terms energy: -40.278723
where:
bonds (distance) C4'-P energy: -8.788
bonds (distance) P-C4' energy: -11.002
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -2.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -59.621263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.621263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.621263 (E_RNA)
where:
Base-Base interactions energy: -20.446
where: short stacking energy: -13.238
Base-Backbone interact. energy: -0.964
local terms energy: -38.211148
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -6.637
flat angles C4'-P-C4' energy: -8.015
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -73.142124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.142124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.142124 (E_RNA)
where:
Base-Base interactions energy: -36.470
where: short stacking energy: -20.611
Base-Backbone interact. energy: -0.025
local terms energy: -36.647281
where:
bonds (distance) C4'-P energy: -5.293
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -3.359
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: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -59.000813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.000813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.000813 (E_RNA)
where:
Base-Base interactions energy: -15.406
where: short stacking energy: -15.406
Base-Backbone interact. energy: -0.192
local terms energy: -43.402352
where:
bonds (distance) C4'-P energy: -9.931
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -176.995295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.995295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.995295 (E_RNA)
where:
Base-Base interactions energy: -112.994
where: short stacking energy: -45.016
Base-Backbone interact. energy: -0.395
local terms energy: -63.606618
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -7.485
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: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -181.491904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.491904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.491904 (E_RNA)
where:
Base-Base interactions energy: -117.468
where: short stacking energy: -45.023
Base-Backbone interact. energy: -0.815
local terms energy: -63.208668
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -172.873310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.873310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.873310 (E_RNA)
where:
Base-Base interactions energy: -111.110
where: short stacking energy: -44.871
Base-Backbone interact. energy: -0.002
local terms energy: -61.760810
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -167.303711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.303711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.303711 (E_RNA)
where:
Base-Base interactions energy: -110.222
where: short stacking energy: -44.729
Base-Backbone interact. energy: -0.004
local terms energy: -57.077479
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -8.843
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -7.763
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: 5, replica: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -163.159641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.159641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.159641 (E_RNA)
where:
Base-Base interactions energy: -107.872
where: short stacking energy: -40.285
Base-Backbone interact. energy: -0.410
local terms energy: -54.877622
where:
bonds (distance) C4'-P energy: -9.340
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -12.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -72.291278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.291278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.291278 (E_RNA)
where:
Base-Base interactions energy: -24.632
where: short stacking energy: -10.603
Base-Backbone interact. energy: 0.956
local terms energy: -48.614774
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -8.325
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: 7, replica: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -73.173821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.173821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.173821 (E_RNA)
where:
Base-Base interactions energy: -26.396
where: short stacking energy: -16.375
Base-Backbone interact. energy: -0.289
local terms energy: -46.488568
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -85.814655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.814655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.814655 (E_RNA)
where:
Base-Base interactions energy: -36.888
where: short stacking energy: -13.732
Base-Backbone interact. energy: -0.232
local terms energy: -48.694525
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -85.063727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.063727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.063727 (E_RNA)
where:
Base-Base interactions energy: -38.557
where: short stacking energy: -18.081
Base-Backbone interact. energy: -0.300
local terms energy: -46.207334
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -9.431
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -69.238043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.238043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.238043 (E_RNA)
where:
Base-Base interactions energy: -20.603
where: short stacking energy: -16.404
Base-Backbone interact. energy: -0.052
local terms energy: -48.583347
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -8.062
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: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -182.402137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.402137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.402137 (E_RNA)
where:
Base-Base interactions energy: -119.386
where: short stacking energy: -41.417
Base-Backbone interact. energy: -0.759
local terms energy: -62.257592
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -11.001
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: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -177.243141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.243141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.243141 (E_RNA)
where:
Base-Base interactions energy: -115.648
where: short stacking energy: -42.504
Base-Backbone interact. energy: -0.009
local terms energy: -61.586120
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -174.748865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.748865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.748865 (E_RNA)
where:
Base-Base interactions energy: -111.067
where: short stacking energy: -44.921
Base-Backbone interact. energy: -0.153
local terms energy: -63.528914
where:
bonds (distance) C4'-P energy: -8.290
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -15.173
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: 5
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -176.952295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.952295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.952295 (E_RNA)
where:
Base-Base interactions energy: -120.007
where: short stacking energy: -40.292
Base-Backbone interact. energy: -0.048
local terms energy: -56.897700
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -9.238
flat angles P-C4'-P energy: -9.141
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: 5, replica: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -169.932577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.932577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.932577 (E_RNA)
where:
Base-Base interactions energy: -110.378
where: short stacking energy: -44.500
Base-Backbone interact. energy: -0.004
local terms energy: -59.551270
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -13.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -68.628896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.628896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.628896 (E_RNA)
where:
Base-Base interactions energy: -31.435
where: short stacking energy: -18.252
Base-Backbone interact. energy: -0.157
local terms energy: -37.036632
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -5.660
flat angles P-C4'-P energy: -3.717
tors. eta vs tors. theta energy: -3.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -62.442220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.442220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.442220 (E_RNA)
where:
Base-Base interactions energy: -19.641
where: short stacking energy: -14.946
Base-Backbone interact. energy: -0.124
local terms energy: -42.676950
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -7.694
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -62.413555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.413555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.413555 (E_RNA)
where:
Base-Base interactions energy: -34.375
where: short stacking energy: -14.489
Base-Backbone interact. energy: -0.135
local terms energy: -27.903168
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -7.908
flat angles C4'-P-C4' energy: -8.235
flat angles P-C4'-P energy: -4.303
tors. eta vs tors. theta energy: 1.271
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: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -55.961823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.961823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.961823 (E_RNA)
where:
Base-Base interactions energy: -15.436
where: short stacking energy: -9.387
Base-Backbone interact. energy: -0.244
local terms energy: -40.282588
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -8.525
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -0.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -52.816216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.816216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.816216 (E_RNA)
where:
Base-Base interactions energy: -14.556
where: short stacking energy: -12.405
Base-Backbone interact. energy: -0.107
local terms energy: -38.153521
where:
bonds (distance) C4'-P energy: -6.738
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -180.891419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.891419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.891419 (E_RNA)
where:
Base-Base interactions energy: -116.206
where: short stacking energy: -48.134
Base-Backbone interact. energy: -0.058
local terms energy: -64.628097
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -11.634
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: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -184.438097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.438097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.438097 (E_RNA)
where:
Base-Base interactions energy: -123.210
where: short stacking energy: -46.791
Base-Backbone interact. energy: -0.282
local terms energy: -60.945499
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -7.360
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: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -170.000514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.000514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.000514 (E_RNA)
where:
Base-Base interactions energy: -106.200
where: short stacking energy: -39.581
Base-Backbone interact. energy: -0.000
local terms energy: -63.800691
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -7.029
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: 4, replica: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -177.913198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.913198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.913198 (E_RNA)
where:
Base-Base interactions energy: -117.308
where: short stacking energy: -45.595
Base-Backbone interact. energy: -0.014
local terms energy: -60.590852
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -10.871
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -169.690432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.690432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.690432 (E_RNA)
where:
Base-Base interactions energy: -112.102
where: short stacking energy: -42.537
Base-Backbone interact. energy: -0.163
local terms energy: -57.424594
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -13.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -67.461917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.461917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.461917 (E_RNA)
where:
Base-Base interactions energy: -30.460
where: short stacking energy: -19.981
Base-Backbone interact. energy: -0.865
local terms energy: -36.136959
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -8.566
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: 0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -67.120647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.120647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.120647 (E_RNA)
where:
Base-Base interactions energy: -29.158
where: short stacking energy: -17.322
Base-Backbone interact. energy: -0.017
local terms energy: -37.946228
where:
bonds (distance) C4'-P energy: -8.448
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -3.615
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: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -70.555160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.555160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.555160 (E_RNA)
where:
Base-Base interactions energy: -27.751
where: short stacking energy: -27.751
Base-Backbone interact. energy: -0.418
local terms energy: -42.386547
where:
bonds (distance) C4'-P energy: -5.869
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -9.485
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -7.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -54.337591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.337591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.337591 (E_RNA)
where:
Base-Base interactions energy: -14.823
where: short stacking energy: -14.823
Base-Backbone interact. energy: -0.227
local terms energy: -39.287611
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: 3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -62.294590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.294590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.294590 (E_RNA)
where:
Base-Base interactions energy: -26.338
where: short stacking energy: -17.082
Base-Backbone interact. energy: -0.143
local terms energy: -35.813515
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -8.951
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -6.794
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: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -171.826190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.826190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.826190 (E_RNA)
where:
Base-Base interactions energy: -115.033
where: short stacking energy: -44.636
Base-Backbone interact. energy: -0.028
local terms energy: -56.764888
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -180.482828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.482828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.482828 (E_RNA)
where:
Base-Base interactions energy: -119.291
where: short stacking energy: -47.830
Base-Backbone interact. energy: -0.039
local terms energy: -61.152907
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -17.050
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: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -173.663606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.663606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.663606 (E_RNA)
where:
Base-Base interactions energy: -115.402
where: short stacking energy: -45.273
Base-Backbone interact. energy: 2.066
local terms energy: -60.327238
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -8.161
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: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -172.858557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.858557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.858557 (E_RNA)
where:
Base-Base interactions energy: -110.762
where: short stacking energy: -42.358
Base-Backbone interact. energy: -0.014
local terms energy: -62.083446
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -6.442
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: 7
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -156.740896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.740896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.740896 (E_RNA)
where:
Base-Base interactions energy: -104.303
where: short stacking energy: -36.625
Base-Backbone interact. energy: -0.011
local terms energy: -52.426994
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -11.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -78.762206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.762206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.762206 (E_RNA)
where:
Base-Base interactions energy: -23.481
where: short stacking energy: -16.082
Base-Backbone interact. energy: -0.057
local terms energy: -55.224798
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -7.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -75.446139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.446139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.446139 (E_RNA)
where:
Base-Base interactions energy: -39.346
where: short stacking energy: -6.152
Base-Backbone interact. energy: -2.066
local terms energy: -34.033565
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -9.129
flat angles C4'-P-C4' energy: -7.738
flat angles P-C4'-P energy: -7.909
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: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -75.464120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.464120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.464120 (E_RNA)
where:
Base-Base interactions energy: -37.874
where: short stacking energy: -24.903
Base-Backbone interact. energy: -0.223
local terms energy: -37.367163
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -7.985
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -3.377
tors. eta vs tors. theta energy: -6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -59.998046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.998046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.998046 (E_RNA)
where:
Base-Base interactions energy: -20.065
where: short stacking energy: -15.962
Base-Backbone interact. energy: -0.055
local terms energy: -39.878265
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -8.779
flat angles P-C4'-P energy: -7.371
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: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -63.995089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.995089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.995089 (E_RNA)
where:
Base-Base interactions energy: -23.448
where: short stacking energy: -22.327
Base-Backbone interact. energy: -0.526
local terms energy: -40.021193
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -9.328
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -178.634640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.634640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.634640 (E_RNA)
where:
Base-Base interactions energy: -122.500
where: short stacking energy: -43.641
Base-Backbone interact. energy: -0.074
local terms energy: -56.060396
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -15.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -177.353000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.353000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.353000 (E_RNA)
where:
Base-Base interactions energy: -114.048
where: short stacking energy: -43.881
Base-Backbone interact. energy: -0.334
local terms energy: -62.970179
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -8.071
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: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -173.756411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.756411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.756411 (E_RNA)
where:
Base-Base interactions energy: -112.334
where: short stacking energy: -45.483
Base-Backbone interact. energy: -0.410
local terms energy: -61.012782
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -10.272
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: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -172.023089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.023089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.023089 (E_RNA)
where:
Base-Base interactions energy: -107.346
where: short stacking energy: -47.270
Base-Backbone interact. energy: -0.002
local terms energy: -64.674841
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -8.577
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: 133
Temperature: 1.100000
Total energy: -156.681109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.681109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.681109 (E_RNA)
where:
Base-Base interactions energy: -94.888
where: short stacking energy: -40.810
Base-Backbone interact. energy: -0.088
local terms energy: -61.705440
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -15.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -81.922112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.922112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.922112 (E_RNA)
where:
Base-Base interactions energy: -40.579
where: short stacking energy: -26.673
Base-Backbone interact. energy: -0.502
local terms energy: -40.841242
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -9.160
flat angles P-C4'-P energy: -3.352
tors. eta vs tors. theta energy: -2.034
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: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -64.362742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.362742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.362742 (E_RNA)
where:
Base-Base interactions energy: -17.399
where: short stacking energy: -17.399
Base-Backbone interact. energy: -0.209
local terms energy: -46.755075
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -59.924546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.924546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.924546 (E_RNA)
where:
Base-Base interactions energy: -21.053
where: short stacking energy: -9.075
Base-Backbone interact. energy: 0.255
local terms energy: -39.126909
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -8.368
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -0.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -62.089265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.089265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.089265 (E_RNA)
where:
Base-Base interactions energy: -18.485
where: short stacking energy: -18.485
Base-Backbone interact. energy: -0.010
local terms energy: -43.593869
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -10.200
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: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -61.110319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.110319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.110319 (E_RNA)
where:
Base-Base interactions energy: -27.040
where: short stacking energy: -13.771
Base-Backbone interact. energy: -0.394
local terms energy: -33.675892
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -9.697
flat angles P-C4'-P energy: -2.849
tors. eta vs tors. theta energy: 1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -180.839147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.839147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.839147 (E_RNA)
where:
Base-Base interactions energy: -117.385
where: short stacking energy: -54.137
Base-Backbone interact. energy: -0.004
local terms energy: -63.449834
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -16.705
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: 5
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -177.991209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.991209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.991209 (E_RNA)
where:
Base-Base interactions energy: -116.086
where: short stacking energy: -46.868
Base-Backbone interact. energy: -0.128
local terms energy: -61.776639
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -169.997473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.997473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.997473 (E_RNA)
where:
Base-Base interactions energy: -111.454
where: short stacking energy: -43.588
Base-Backbone interact. energy: -0.001
local terms energy: -58.542568
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -170.566254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.566254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.566254 (E_RNA)
where:
Base-Base interactions energy: -107.279
where: short stacking energy: -37.712
Base-Backbone interact. energy: -0.315
local terms energy: -62.972400
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -165.978112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.978112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.978112 (E_RNA)
where:
Base-Base interactions energy: -112.603
where: short stacking energy: -43.575
Base-Backbone interact. energy: -0.035
local terms energy: -53.339370
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -10.080
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -13.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -101.968058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.968058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.968058 (E_RNA)
where:
Base-Base interactions energy: -56.737
where: short stacking energy: -19.408
Base-Backbone interact. energy: -0.145
local terms energy: -45.085939
where:
bonds (distance) C4'-P energy: -9.401
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -7.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -70.954864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.954864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.954864 (E_RNA)
where:
Base-Base interactions energy: -27.586
where: short stacking energy: -27.586
Base-Backbone interact. energy: 0.661
local terms energy: -44.030021
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -8.550
flat angles P-C4'-P energy: -4.751
tors. eta vs tors. theta energy: -3.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -67.487383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.487383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.487383 (E_RNA)
where:
Base-Base interactions energy: -19.943
where: short stacking energy: -18.328
Base-Backbone interact. energy: -0.017
local terms energy: -47.527647
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -66.662664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.662664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.662664 (E_RNA)
where:
Base-Base interactions energy: -23.400
where: short stacking energy: -23.400
Base-Backbone interact. energy: -0.079
local terms energy: -43.183245
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -3.467
tors. eta vs tors. theta energy: -4.320
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: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -61.326247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.326247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.326247 (E_RNA)
where:
Base-Base interactions energy: -17.423
where: short stacking energy: -10.015
Base-Backbone interact. energy: -1.809
local terms energy: -42.095064
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -10.187
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -2.557
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: 135
Temperature: 0.900000
Total energy: -186.375824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.375824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.375824 (E_RNA)
where:
Base-Base interactions energy: -119.116
where: short stacking energy: -48.894
Base-Backbone interact. energy: -0.011
local terms energy: -67.248017
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -182.866248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.866248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.866248 (E_RNA)
where:
Base-Base interactions energy: -116.263
where: short stacking energy: -49.062
Base-Backbone interact. energy: 1.778
local terms energy: -68.381381
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -9.651
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: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -174.527971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.527971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.527971 (E_RNA)
where:
Base-Base interactions energy: -111.512
where: short stacking energy: -45.094
Base-Backbone interact. energy: -0.157
local terms energy: -62.858731
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -16.270
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: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -168.514121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.514121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.514121 (E_RNA)
where:
Base-Base interactions energy: -113.513
where: short stacking energy: -42.093
Base-Backbone interact. energy: -0.007
local terms energy: -54.994421
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -9.990
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -166.375181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.375181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.375181 (E_RNA)
where:
Base-Base interactions energy: -113.330
where: short stacking energy: -41.185
Base-Backbone interact. energy: -0.303
local terms energy: -52.742393
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -8.542
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -80.124684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.124684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.124684 (E_RNA)
where:
Base-Base interactions energy: -39.089
where: short stacking energy: -21.287
Base-Backbone interact. energy: -0.136
local terms energy: -40.899843
where:
bonds (distance) C4'-P energy: -9.691
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -9.323
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -60.185326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.185326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.185326 (E_RNA)
where:
Base-Base interactions energy: -21.714
where: short stacking energy: -15.712
Base-Backbone interact. energy: 0.069
local terms energy: -38.540452
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: 5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -62.564681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.564681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.564681 (E_RNA)
where:
Base-Base interactions energy: -17.408
where: short stacking energy: -13.811
Base-Backbone interact. energy: -0.013
local terms energy: -45.143332
where:
bonds (distance) C4'-P energy: -9.343
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -62.472646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.472646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.472646 (E_RNA)
where:
Base-Base interactions energy: -25.387
where: short stacking energy: -19.487
Base-Backbone interact. energy: 0.653
local terms energy: -37.738309
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -9.303
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -51.313246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.313246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.313246 (E_RNA)
where:
Base-Base interactions energy: -13.502
where: short stacking energy: -13.502
Base-Backbone interact. energy: -0.009
local terms energy: -37.801666
where:
bonds (distance) C4'-P energy: -8.337
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -8.219
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -180.927094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.927094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.927094 (E_RNA)
where:
Base-Base interactions energy: -126.736
where: short stacking energy: -40.618
Base-Backbone interact. energy: -0.134
local terms energy: -54.057424
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -7.927
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -13.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -186.633188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.633188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.633188 (E_RNA)
where:
Base-Base interactions energy: -119.831
where: short stacking energy: -48.911
Base-Backbone interact. energy: -0.052
local terms energy: -66.750749
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -17.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -174.724717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.724717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.724717 (E_RNA)
where:
Base-Base interactions energy: -116.327
where: short stacking energy: -49.216
Base-Backbone interact. energy: -0.007
local terms energy: -58.390881
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -8.416
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: 9
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -154.053611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.053611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.053611 (E_RNA)
where:
Base-Base interactions energy: -99.434
where: short stacking energy: -42.961
Base-Backbone interact. energy: -0.598
local terms energy: -54.021181
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -8.049
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: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -164.208964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.208964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.208964 (E_RNA)
where:
Base-Base interactions energy: -104.242
where: short stacking energy: -42.460
Base-Backbone interact. energy: -0.000
local terms energy: -59.966955
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -86.734284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.734284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.734284 (E_RNA)
where:
Base-Base interactions energy: -40.699
where: short stacking energy: -23.888
Base-Backbone interact. energy: -0.071
local terms energy: -45.964337
where:
bonds (distance) C4'-P energy: -4.959
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -70.732577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.732577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.732577 (E_RNA)
where:
Base-Base interactions energy: -30.257
where: short stacking energy: -15.676
Base-Backbone interact. energy: -1.028
local terms energy: -39.447374
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -3.913
tors. eta vs tors. theta energy: 0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -62.737126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.737126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.737126 (E_RNA)
where:
Base-Base interactions energy: -22.162
where: short stacking energy: -22.162
Base-Backbone interact. energy: -0.121
local terms energy: -40.453966
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -12.462
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -3.801
tors. eta vs tors. theta energy: -1.535
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: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -56.479637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.479637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.479637 (E_RNA)
where:
Base-Base interactions energy: -14.555
where: short stacking energy: -3.228
Base-Backbone interact. energy: -0.866
local terms energy: -41.057770
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -9.754
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -0.128
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: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -61.882763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.882763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.882763 (E_RNA)
where:
Base-Base interactions energy: -23.106
where: short stacking energy: -20.285
Base-Backbone interact. energy: -0.085
local terms energy: -38.691070
where:
bonds (distance) C4'-P energy: -5.737
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -10.019
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: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -176.603154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.603154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.603154 (E_RNA)
where:
Base-Base interactions energy: -114.755
where: short stacking energy: -48.335
Base-Backbone interact. energy: -0.353
local terms energy: -61.494597
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -180.216680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.216680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.216680 (E_RNA)
where:
Base-Base interactions energy: -119.162
where: short stacking energy: -51.303
Base-Backbone interact. energy: -0.034
local terms energy: -61.021153
where:
bonds (distance) C4'-P energy: -7.066
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -8.925
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: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -175.973834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.973834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.973834 (E_RNA)
where:
Base-Base interactions energy: -116.350
where: short stacking energy: -46.749
Base-Backbone interact. energy: 0.021
local terms energy: -59.644874
where:
bonds (distance) C4'-P energy: -7.381
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -170.201836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.201836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.201836 (E_RNA)
where:
Base-Base interactions energy: -110.533
where: short stacking energy: -39.078
Base-Backbone interact. energy: -0.028
local terms energy: -59.640353
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -15.923
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: 5, replica: 9
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -150.845932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.845932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.845932 (E_RNA)
where:
Base-Base interactions energy: -101.993
where: short stacking energy: -38.894
Base-Backbone interact. energy: -0.126
local terms energy: -48.726976
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -6.694
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -15.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -97.882903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.882903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.882903 (E_RNA)
where:
Base-Base interactions energy: -50.955
where: short stacking energy: -19.018
Base-Backbone interact. energy: -0.031
local terms energy: -46.896940
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -72.833273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.833273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.833273 (E_RNA)
where:
Base-Base interactions energy: -24.978
where: short stacking energy: -18.570
Base-Backbone interact. energy: -1.121
local terms energy: -46.734113
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -6.709
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: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -71.976449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.976449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.976449 (E_RNA)
where:
Base-Base interactions energy: -32.306
where: short stacking energy: -25.066
Base-Backbone interact. energy: -0.110
local terms energy: -39.559874
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -8.928
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -1.407
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: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -55.898637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.898637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.898637 (E_RNA)
where:
Base-Base interactions energy: -23.110
where: short stacking energy: -9.545
Base-Backbone interact. energy: -0.988
local terms energy: -31.801057
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -8.645
flat angles P-C4'-P energy: -5.241
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: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -63.037130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.037130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.037130 (E_RNA)
where:
Base-Base interactions energy: -19.315
where: short stacking energy: -18.987
Base-Backbone interact. energy: -0.114
local terms energy: -43.607989
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -7.341
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -3.108
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: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -183.781354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.781354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.781354 (E_RNA)
where:
Base-Base interactions energy: -120.383
where: short stacking energy: -46.370
Base-Backbone interact. energy: -0.002
local terms energy: -63.396661
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -176.523051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.523051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.523051 (E_RNA)
where:
Base-Base interactions energy: -117.057
where: short stacking energy: -50.189
Base-Backbone interact. energy: -0.034
local terms energy: -59.431575
where:
bonds (distance) C4'-P energy: -8.436
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -9.046
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: 3, replica: 3
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -175.713715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.713715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.713715 (E_RNA)
where:
Base-Base interactions energy: -112.735
where: short stacking energy: -41.320
Base-Backbone interact. energy: -0.065
local terms energy: -62.914176
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -6.864
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: 138
Temperature: 1.050000
Total energy: -174.986132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.986132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.986132 (E_RNA)
where:
Base-Base interactions energy: -113.177
where: short stacking energy: -46.448
Base-Backbone interact. energy: -0.027
local terms energy: -61.781823
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -161.958886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.958886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.958886 (E_RNA)
where:
Base-Base interactions energy: -107.518
where: short stacking energy: -39.997
Base-Backbone interact. energy: -0.007
local terms energy: -54.433675
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: -6.348
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: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -70.081275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.081275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.081275 (E_RNA)
where:
Base-Base interactions energy: -26.078
where: short stacking energy: -15.083
Base-Backbone interact. energy: -0.097
local terms energy: -43.905886
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -7.759
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: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -63.791909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.791909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.791909 (E_RNA)
where:
Base-Base interactions energy: -34.314
where: short stacking energy: -15.580
Base-Backbone interact. energy: -0.133
local terms energy: -29.345747
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -4.525
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: 3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -72.864976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.864976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.864976 (E_RNA)
where:
Base-Base interactions energy: -29.565
where: short stacking energy: -16.299
Base-Backbone interact. energy: -0.038
local terms energy: -43.261593
where:
bonds (distance) C4'-P energy: -9.298
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -60.740673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.740673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.740673 (E_RNA)
where:
Base-Base interactions energy: -23.776
where: short stacking energy: -13.736
Base-Backbone interact. energy: 1.923
local terms energy: -38.887224
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -9.594
flat angles C4'-P-C4' energy: -7.835
flat angles P-C4'-P energy: -9.120
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: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -71.663916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.663916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.663916 (E_RNA)
where:
Base-Base interactions energy: -36.912
where: short stacking energy: -17.679
Base-Backbone interact. energy: -0.541
local terms energy: -34.211671
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -0.669
tors. eta vs tors. theta energy: 3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -178.499318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.499318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.499318 (E_RNA)
where:
Base-Base interactions energy: -115.633
where: short stacking energy: -45.960
Base-Backbone interact. energy: -0.216
local terms energy: -62.650358
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -182.591223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.591223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.591223 (E_RNA)
where:
Base-Base interactions energy: -116.086
where: short stacking energy: -48.587
Base-Backbone interact. energy: -0.010
local terms energy: -66.495329
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -8.689
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: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -178.611428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.611428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.611428 (E_RNA)
where:
Base-Base interactions energy: -119.532
where: short stacking energy: -50.767
Base-Backbone interact. energy: -0.006
local terms energy: -59.073573
where:
bonds (distance) C4'-P energy: -7.947
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -172.863965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.863965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.863965 (E_RNA)
where:
Base-Base interactions energy: -113.290
where: short stacking energy: -46.178
Base-Backbone interact. energy: -0.013
local terms energy: -59.560500
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -7.692
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: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -166.987868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.987868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.987868 (E_RNA)
where:
Base-Base interactions energy: -104.425
where: short stacking energy: -41.404
Base-Backbone interact. energy: -0.498
local terms energy: -62.064490
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -14.763
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: 6, replica: 10
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -91.188549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.188549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.188549 (E_RNA)
where:
Base-Base interactions energy: -48.160
where: short stacking energy: -19.546
Base-Backbone interact. energy: -0.006
local terms energy: -43.022043
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -8.497
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -2.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -69.061743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.061743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.061743 (E_RNA)
where:
Base-Base interactions energy: -28.469
where: short stacking energy: -17.297
Base-Backbone interact. energy: -0.177
local terms energy: -40.416005
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -6.272
flat angles P-C4'-P energy: -6.168
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: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -99.778738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.778738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.778738 (E_RNA)
where:
Base-Base interactions energy: -51.648
where: short stacking energy: -18.779
Base-Backbone interact. energy: -0.915
local terms energy: -47.215611
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -8.485
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -61.917868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.917868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.917868 (E_RNA)
where:
Base-Base interactions energy: -22.782
where: short stacking energy: -8.853
Base-Backbone interact. energy: -0.173
local terms energy: -38.962992
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -9.414
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: 3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -58.145187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.145187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.145187 (E_RNA)
where:
Base-Base interactions energy: -13.895
where: short stacking energy: -8.222
Base-Backbone interact. energy: -0.940
local terms energy: -43.309741
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: 2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -186.503596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.503596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.503596 (E_RNA)
where:
Base-Base interactions energy: -115.159
where: short stacking energy: -44.074
Base-Backbone interact. energy: -0.127
local terms energy: -71.218486
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -19.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -178.732992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.732992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.732992 (E_RNA)
where:
Base-Base interactions energy: -118.795
where: short stacking energy: -44.713
Base-Backbone interact. energy: -0.015
local terms energy: -59.922205
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -16.019
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: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -172.669615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.669615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.669615 (E_RNA)
where:
Base-Base interactions energy: -112.589
where: short stacking energy: -47.375
Base-Backbone interact. energy: -0.043
local terms energy: -60.037506
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -169.543940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.543940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.543940 (E_RNA)
where:
Base-Base interactions energy: -112.476
where: short stacking energy: -45.121
Base-Backbone interact. energy: -0.037
local terms energy: -57.030872
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -7.482
flat angles P-C4'-P energy: -11.039
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: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -166.982750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.982750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.982750 (E_RNA)
where:
Base-Base interactions energy: -114.592
where: short stacking energy: -41.237
Base-Backbone interact. energy: -0.120
local terms energy: -52.270356
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -8.808
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -12.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -88.093001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.093001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.093001 (E_RNA)
where:
Base-Base interactions energy: -44.354
where: short stacking energy: -25.114
Base-Backbone interact. energy: -1.092
local terms energy: -42.646903
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -4.724
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -8.348
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: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -117.221198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.221198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.221198 (E_RNA)
where:
Base-Base interactions energy: -71.031
where: short stacking energy: -25.700
Base-Backbone interact. energy: -0.160
local terms energy: -46.030085
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -69.539019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.539019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.539019 (E_RNA)
where:
Base-Base interactions energy: -33.443
where: short stacking energy: -16.544
Base-Backbone interact. energy: -0.276
local terms energy: -35.819847
where:
bonds (distance) C4'-P energy: -8.070
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -4.874
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: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -65.099760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.099760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.099760 (E_RNA)
where:
Base-Base interactions energy: -29.388
where: short stacking energy: -18.450
Base-Backbone interact. energy: -0.514
local terms energy: -35.198142
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -9.483
flat angles P-C4'-P energy: -1.231
tors. eta vs tors. theta energy: -2.446
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: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -54.179837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.179837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.179837 (E_RNA)
where:
Base-Base interactions energy: -15.803
where: short stacking energy: -6.679
Base-Backbone interact. energy: -0.132
local terms energy: -38.245232
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: 5.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -180.093986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.093986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.093986 (E_RNA)
where:
Base-Base interactions energy: -117.884
where: short stacking energy: -47.669
Base-Backbone interact. energy: -0.016
local terms energy: -62.194464
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -8.439
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -17.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -172.863496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.863496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.863496 (E_RNA)
where:
Base-Base interactions energy: -109.116
where: short stacking energy: -47.731
Base-Backbone interact. energy: -0.039
local terms energy: -63.708289
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -168.915730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.915730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.915730 (E_RNA)
where:
Base-Base interactions energy: -113.635
where: short stacking energy: -35.749
Base-Backbone interact. energy: -0.009
local terms energy: -55.271254
where:
bonds (distance) C4'-P energy: -9.973
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -7.866
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: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -169.204444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.204444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.204444 (E_RNA)
where:
Base-Base interactions energy: -109.413
where: short stacking energy: -47.451
Base-Backbone interact. energy: -0.015
local terms energy: -59.776990
where:
bonds (distance) C4'-P energy: -8.146
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -147.014498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.014498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.014498 (E_RNA)
where:
Base-Base interactions energy: -95.434
where: short stacking energy: -38.691
Base-Backbone interact. energy: -0.063
local terms energy: -51.517377
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -11.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -125.383703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.383703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.383703 (E_RNA)
where:
Base-Base interactions energy: -78.635
where: short stacking energy: -30.164
Base-Backbone interact. energy: -0.123
local terms energy: -46.625463
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -9.533
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -73.911994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.911994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.911994 (E_RNA)
where:
Base-Base interactions energy: -33.779
where: short stacking energy: -25.489
Base-Backbone interact. energy: -0.448
local terms energy: -39.684794
where:
bonds (distance) C4'-P energy: -6.543
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -4.209
tors. eta vs tors. theta energy: -4.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -72.035449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.035449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.035449 (E_RNA)
where:
Base-Base interactions energy: -24.229
where: short stacking energy: -19.499
Base-Backbone interact. energy: -0.435
local terms energy: -47.371711
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -4.683
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: 141
Temperature: 1.300000
Total energy: -65.636037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.636037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.636037 (E_RNA)
where:
Base-Base interactions energy: -31.196
where: short stacking energy: -10.459
Base-Backbone interact. energy: -0.298
local terms energy: -34.142330
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -1.732
tors. eta vs tors. theta energy: -0.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -57.805795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.805795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.805795 (E_RNA)
where:
Base-Base interactions energy: -21.820
where: short stacking energy: -10.371
Base-Backbone interact. energy: 0.530
local terms energy: -36.515861
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -11.174
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -180.223066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.223066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.223066 (E_RNA)
where:
Base-Base interactions energy: -122.614
where: short stacking energy: -46.841
Base-Backbone interact. energy: -0.029
local terms energy: -57.580253
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -9.626
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -168.536087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.536087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.536087 (E_RNA)
where:
Base-Base interactions energy: -113.825
where: short stacking energy: -39.587
Base-Backbone interact. energy: -0.217
local terms energy: -54.494158
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -9.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -179.220247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.220247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.220247 (E_RNA)
where:
Base-Base interactions energy: -116.296
where: short stacking energy: -49.039
Base-Backbone interact. energy: -0.089
local terms energy: -62.834475
where:
bonds (distance) C4'-P energy: -9.636
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -164.690505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.690505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.690505 (E_RNA)
where:
Base-Base interactions energy: -111.575
where: short stacking energy: -36.805
Base-Backbone interact. energy: -0.745
local terms energy: -52.371149
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -6.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -169.890590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.890590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.890590 (E_RNA)
where:
Base-Base interactions energy: -108.726
where: short stacking energy: -40.454
Base-Backbone interact. energy: -1.169
local terms energy: -59.995568
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -9.053
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: 6, replica: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -122.975250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.975250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.975250 (E_RNA)
where:
Base-Base interactions energy: -75.183
where: short stacking energy: -28.437
Base-Backbone interact. energy: 0.236
local terms energy: -48.028477
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -4.753
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: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -90.038346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.038346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.038346 (E_RNA)
where:
Base-Base interactions energy: -48.348
where: short stacking energy: -16.370
Base-Backbone interact. energy: -0.959
local terms energy: -40.731733
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: 4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -79.839644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.839644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.839644 (E_RNA)
where:
Base-Base interactions energy: -39.139
where: short stacking energy: -10.602
Base-Backbone interact. energy: -0.186
local terms energy: -40.514140
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -6.267
flat angles P-C4'-P energy: -10.122
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: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -61.076119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.076119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.076119 (E_RNA)
where:
Base-Base interactions energy: -19.697
where: short stacking energy: -9.416
Base-Backbone interact. energy: -0.174
local terms energy: -41.204688
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -8.595
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: 0.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -57.190103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.190103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.190103 (E_RNA)
where:
Base-Base interactions energy: -21.620
where: short stacking energy: -16.281
Base-Backbone interact. energy: -0.192
local terms energy: -35.378110
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: 1.625
tors. eta vs tors. theta energy: 1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -183.163965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.163965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.163965 (E_RNA)
where:
Base-Base interactions energy: -120.258
where: short stacking energy: -45.955
Base-Backbone interact. energy: -0.147
local terms energy: -62.759211
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -175.796816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.796816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.796816 (E_RNA)
where:
Base-Base interactions energy: -114.094
where: short stacking energy: -47.893
Base-Backbone interact. energy: -0.055
local terms energy: -61.647394
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -15.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -171.763437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.763437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.763437 (E_RNA)
where:
Base-Base interactions energy: -111.005
where: short stacking energy: -42.615
Base-Backbone interact. energy: -0.107
local terms energy: -60.651619
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -176.044731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.044731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.044731 (E_RNA)
where:
Base-Base interactions energy: -118.103
where: short stacking energy: -40.692
Base-Backbone interact. energy: -0.031
local terms energy: -57.910683
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -14.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -162.746788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.746788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.746788 (E_RNA)
where:
Base-Base interactions energy: -107.798
where: short stacking energy: -37.171
Base-Backbone interact. energy: -0.632
local terms energy: -54.316810
where:
bonds (distance) C4'-P energy: -10.523
bonds (distance) P-C4' energy: -9.859
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -11.830
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: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -106.336266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.336266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.336266 (E_RNA)
where:
Base-Base interactions energy: -59.153
where: short stacking energy: -26.169
Base-Backbone interact. energy: -0.009
local terms energy: -47.174511
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -7.979
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -9.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -81.511655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.511655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.511655 (E_RNA)
where:
Base-Base interactions energy: -48.800
where: short stacking energy: -17.585
Base-Backbone interact. energy: -0.060
local terms energy: -32.651874
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -4.814
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: 0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -76.776761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.776761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.776761 (E_RNA)
where:
Base-Base interactions energy: -35.658
where: short stacking energy: -14.939
Base-Backbone interact. energy: -0.282
local terms energy: -40.837134
where:
bonds (distance) C4'-P energy: -9.468
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -6.078
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: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -64.630034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.630034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.630034 (E_RNA)
where:
Base-Base interactions energy: -23.210
where: short stacking energy: -18.144
Base-Backbone interact. energy: -0.146
local terms energy: -41.274241
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -6.915
flat angles P-C4'-P energy: -3.574
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -60.509512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.509512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.509512 (E_RNA)
where:
Base-Base interactions energy: -21.072
where: short stacking energy: -13.648
Base-Backbone interact. energy: -0.081
local terms energy: -39.356846
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -6.803
flat angles P-C4'-P energy: -3.949
tors. eta vs tors. theta energy: -3.869
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: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -177.113623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.113623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.113623 (E_RNA)
where:
Base-Base interactions energy: -119.835
where: short stacking energy: -47.264
Base-Backbone interact. energy: -0.007
local terms energy: -57.271153
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -5.780
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -173.757882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.757882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.757882 (E_RNA)
where:
Base-Base interactions energy: -120.697
where: short stacking energy: -37.569
Base-Backbone interact. energy: -0.217
local terms energy: -52.844404
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -178.292611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.292611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.292611 (E_RNA)
where:
Base-Base interactions energy: -117.768
where: short stacking energy: -44.266
Base-Backbone interact. energy: -0.013
local terms energy: -60.512265
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -173.918806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.918806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.918806 (E_RNA)
where:
Base-Base interactions energy: -115.656
where: short stacking energy: -43.141
Base-Backbone interact. energy: -0.003
local terms energy: -58.259731
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -14.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -169.279769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.279769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.279769 (E_RNA)
where:
Base-Base interactions energy: -115.671
where: short stacking energy: -44.815
Base-Backbone interact. energy: 0.123
local terms energy: -53.731783
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -7.368
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -7.671
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: 6, replica: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -67.534587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.534587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.534587 (E_RNA)
where:
Base-Base interactions energy: -22.858
where: short stacking energy: -22.858
Base-Backbone interact. energy: 0.083
local terms energy: -44.759249
where:
bonds (distance) C4'-P energy: -8.875
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -9.543
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: 7, replica: 4
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -69.369693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.369693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.369693 (E_RNA)
where:
Base-Base interactions energy: -27.309
where: short stacking energy: -17.689
Base-Backbone interact. energy: -0.131
local terms energy: -41.930558
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -1.782
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -70.131733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.131733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.131733 (E_RNA)
where:
Base-Base interactions energy: -19.522
where: short stacking energy: -17.526
Base-Backbone interact. energy: -0.002
local terms energy: -50.607686
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -7.432
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -7.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -69.569700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.569700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.569700 (E_RNA)
where:
Base-Base interactions energy: -34.924
where: short stacking energy: -10.076
Base-Backbone interact. energy: -0.672
local terms energy: -33.973593
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -4.117
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: 0.905
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: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -64.310791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.310791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.310791 (E_RNA)
where:
Base-Base interactions energy: -29.145
where: short stacking energy: -12.700
Base-Backbone interact. energy: -0.632
local terms energy: -34.533829
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -7.634
flat angles P-C4'-P energy: -7.295
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: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -179.662638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.662638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.662638 (E_RNA)
where:
Base-Base interactions energy: -117.101
where: short stacking energy: -49.543
Base-Backbone interact. energy: -0.023
local terms energy: -62.539073
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -9.189
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: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -190.404968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.404968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.404968 (E_RNA)
where:
Base-Base interactions energy: -128.368
where: short stacking energy: -42.355
Base-Backbone interact. energy: -0.332
local terms energy: -61.704982
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -13.035
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: 3, replica: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -169.739012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.739012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.739012 (E_RNA)
where:
Base-Base interactions energy: -116.733
where: short stacking energy: -42.214
Base-Backbone interact. energy: -0.004
local terms energy: -53.001374
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: -7.245
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -15.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -167.800126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.800126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.800126 (E_RNA)
where:
Base-Base interactions energy: -106.748
where: short stacking energy: -41.299
Base-Backbone interact. energy: -0.103
local terms energy: -60.949992
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -7.605
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: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -130.095061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.095061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.095061 (E_RNA)
where:
Base-Base interactions energy: -83.489
where: short stacking energy: -31.298
Base-Backbone interact. energy: 0.620
local terms energy: -47.225623
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -6.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -70.094075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.094075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.094075 (E_RNA)
where:
Base-Base interactions energy: -25.321
where: short stacking energy: -11.013
Base-Backbone interact. energy: -0.760
local terms energy: -44.013655
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: 3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -63.360376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.360376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.360376 (E_RNA)
where:
Base-Base interactions energy: -23.217
where: short stacking energy: -21.177
Base-Backbone interact. energy: -0.197
local terms energy: -39.946690
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -9.202
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -6.378
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: 8, replica: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -62.788692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.788692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.788692 (E_RNA)
where:
Base-Base interactions energy: -23.761
where: short stacking energy: -5.970
Base-Backbone interact. energy: -0.140
local terms energy: -38.887067
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -9.229
flat angles P-C4'-P energy: -5.174
tors. eta vs tors. theta energy: -0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -71.409624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.409624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.409624 (E_RNA)
where:
Base-Base interactions energy: -22.086
where: short stacking energy: -19.743
Base-Backbone interact. energy: -0.134
local terms energy: -49.189086
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -10.194
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: 10, replica: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -63.100405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.100405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.100405 (E_RNA)
where:
Base-Base interactions energy: -26.014
where: short stacking energy: -8.873
Base-Backbone interact. energy: -0.230
local terms energy: -36.855756
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: 3.859
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: 1, replica: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -182.590963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.590963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.590963 (E_RNA)
where:
Base-Base interactions energy: -125.556
where: short stacking energy: -41.850
Base-Backbone interact. energy: 1.872
local terms energy: -58.906933
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -181.777380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.777380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.777380 (E_RNA)
where:
Base-Base interactions energy: -123.234
where: short stacking energy: -43.797
Base-Backbone interact. energy: -0.114
local terms energy: -58.429888
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -12.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -172.929439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.929439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.929439 (E_RNA)
where:
Base-Base interactions energy: -115.069
where: short stacking energy: -47.050
Base-Backbone interact. energy: -0.010
local terms energy: -57.850492
where:
bonds (distance) C4'-P energy: -6.684
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -167.026298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.026298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.026298 (E_RNA)
where:
Base-Base interactions energy: -108.997
where: short stacking energy: -43.980
Base-Backbone interact. energy: -0.177
local terms energy: -57.852207
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -12.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -101.018207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.018207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.018207 (E_RNA)
where:
Base-Base interactions energy: -52.368
where: short stacking energy: -22.190
Base-Backbone interact. energy: -0.084
local terms energy: -48.566056
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -3.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -121.809813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.809813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.809813 (E_RNA)
where:
Base-Base interactions energy: -72.948
where: short stacking energy: -31.686
Base-Backbone interact. energy: -0.007
local terms energy: -48.854120
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -9.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -69.633183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.633183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.633183 (E_RNA)
where:
Base-Base interactions energy: -34.421
where: short stacking energy: -16.758
Base-Backbone interact. energy: 0.210
local terms energy: -35.422338
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -9.010
flat angles C4'-P-C4' energy: -6.686
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: 1.213
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: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -69.240804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.240804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.240804 (E_RNA)
where:
Base-Base interactions energy: -25.808
where: short stacking energy: -20.884
Base-Backbone interact. energy: -0.095
local terms energy: -43.338691
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -10.769
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -5.588
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: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -65.439450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.439450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.439450 (E_RNA)
where:
Base-Base interactions energy: -27.837
where: short stacking energy: -11.392
Base-Backbone interact. energy: -0.191
local terms energy: -37.411794
where:
bonds (distance) C4'-P energy: -8.706
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: 3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -56.426680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.426680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.426680 (E_RNA)
where:
Base-Base interactions energy: -17.149
where: short stacking energy: -9.041
Base-Backbone interact. energy: -0.123
local terms energy: -39.154268
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -5.081
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: 1, replica: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -180.324974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.324974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.324974 (E_RNA)
where:
Base-Base interactions energy: -113.352
where: short stacking energy: -46.848
Base-Backbone interact. energy: -0.033
local terms energy: -66.940368
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -177.146003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.146003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.146003 (E_RNA)
where:
Base-Base interactions energy: -111.279
where: short stacking energy: -45.493
Base-Backbone interact. energy: -0.001
local terms energy: -65.866104
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -169.642651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.642651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.642651 (E_RNA)
where:
Base-Base interactions energy: -120.702
where: short stacking energy: -34.076
Base-Backbone interact. energy: 1.303
local terms energy: -50.244317
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -7.909
flat angles P-C4'-P energy: -6.028
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: 4, replica: 9
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -176.315198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.315198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.315198 (E_RNA)
where:
Base-Base interactions energy: -116.167
where: short stacking energy: -43.524
Base-Backbone interact. energy: -0.019
local terms energy: -60.129733
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -15.758
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: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -106.123752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.123752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.123752 (E_RNA)
where:
Base-Base interactions energy: -59.189
where: short stacking energy: -30.320
Base-Backbone interact. energy: 0.607
local terms energy: -47.541843
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -6.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -70.078433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.078433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.078433 (E_RNA)
where:
Base-Base interactions energy: -34.132
where: short stacking energy: -20.506
Base-Backbone interact. energy: -0.237
local terms energy: -35.709433
where:
bonds (distance) C4'-P energy: -4.524
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -75.883302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.883302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.883302 (E_RNA)
where:
Base-Base interactions energy: -30.201
where: short stacking energy: -17.738
Base-Backbone interact. energy: -0.058
local terms energy: -45.624723
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -9.190
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -2.855
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: 1
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -65.351612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.351612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.351612 (E_RNA)
where:
Base-Base interactions energy: -37.436
where: short stacking energy: -16.871
Base-Backbone interact. energy: -1.177
local terms energy: -26.739157
where:
bonds (distance) C4'-P energy: -8.313
bonds (distance) P-C4' energy: -9.177
flat angles C4'-P-C4' energy: -7.768
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: 4.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -66.164808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.164808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.164808 (E_RNA)
where:
Base-Base interactions energy: -29.211
where: short stacking energy: -10.870
Base-Backbone interact. energy: 0.394
local terms energy: -37.348016
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -9.895
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -64.842263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.842263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.842263 (E_RNA)
where:
Base-Base interactions energy: -32.261
where: short stacking energy: -10.296
Base-Backbone interact. energy: -0.222
local terms energy: -32.358604
where:
bonds (distance) C4'-P energy: -8.847
bonds (distance) P-C4' energy: -8.012
flat angles C4'-P-C4' energy: -5.722
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: 0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -178.358100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.358100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.358100 (E_RNA)
where:
Base-Base interactions energy: -118.305
where: short stacking energy: -52.163
Base-Backbone interact. energy: -0.006
local terms energy: -60.047029
where:
bonds (distance) C4'-P energy: -7.921
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -9.125
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: 5
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -180.026921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.026921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.026921 (E_RNA)
where:
Base-Base interactions energy: -114.239
where: short stacking energy: -46.343
Base-Backbone interact. energy: -0.005
local terms energy: -65.783280
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -16.157
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: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -172.899424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.899424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.899424 (E_RNA)
where:
Base-Base interactions energy: -114.045
where: short stacking energy: -48.804
Base-Backbone interact. energy: -0.005
local terms energy: -58.849139
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -6.866
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: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -158.482417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.482417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.482417 (E_RNA)
where:
Base-Base interactions energy: -102.821
where: short stacking energy: -40.223
Base-Backbone interact. energy: -0.015
local terms energy: -55.646483
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -9.224
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -14.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -83.327444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.327444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.327444 (E_RNA)
where:
Base-Base interactions energy: -45.638
where: short stacking energy: -18.687
Base-Backbone interact. energy: -0.518
local terms energy: -37.170756
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -8.755
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: 3.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -71.389210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.389210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.389210 (E_RNA)
where:
Base-Base interactions energy: -22.031
where: short stacking energy: -17.038
Base-Backbone interact. energy: 0.785
local terms energy: -50.143466
where:
bonds (distance) C4'-P energy: -10.701
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -5.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -70.189561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.189561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.189561 (E_RNA)
where:
Base-Base interactions energy: -23.779
where: short stacking energy: -15.919
Base-Backbone interact. energy: 0.384
local terms energy: -46.794927
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -1.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -63.716428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.716428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.716428 (E_RNA)
where:
Base-Base interactions energy: -24.636
where: short stacking energy: -15.495
Base-Backbone interact. energy: 0.210
local terms energy: -39.290623
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -58.524109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.524109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.524109 (E_RNA)
where:
Base-Base interactions energy: -16.118
where: short stacking energy: -15.813
Base-Backbone interact. energy: -0.024
local terms energy: -42.382455
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -8.254
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: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -59.634440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.634440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.634440 (E_RNA)
where:
Base-Base interactions energy: -26.595
where: short stacking energy: -13.365
Base-Backbone interact. energy: -0.154
local terms energy: -32.885382
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -10.297
flat angles C4'-P-C4' energy: -9.907
flat angles P-C4'-P energy: -4.141
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: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -183.309586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.309586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.309586 (E_RNA)
where:
Base-Base interactions energy: -115.018
where: short stacking energy: -51.070
Base-Backbone interact. energy: -0.033
local terms energy: -68.258121
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -180.837047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.837047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.837047 (E_RNA)
where:
Base-Base interactions energy: -118.859
where: short stacking energy: -49.482
Base-Backbone interact. energy: -0.011
local terms energy: -61.967163
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -10.837
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -176.356050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.356050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.356050 (E_RNA)
where:
Base-Base interactions energy: -113.982
where: short stacking energy: -49.314
Base-Backbone interact. energy: -0.006
local terms energy: -62.368029
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -8.303
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: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -160.251545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.251545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.251545 (E_RNA)
where:
Base-Base interactions energy: -103.908
where: short stacking energy: -33.053
Base-Backbone interact. energy: -0.069
local terms energy: -56.274872
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -14.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -91.398580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.398580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.398580 (E_RNA)
where:
Base-Base interactions energy: -50.969
where: short stacking energy: -19.776
Base-Backbone interact. energy: 0.464
local terms energy: -40.893996
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -67.258457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.258457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.258457 (E_RNA)
where:
Base-Base interactions energy: -24.584
where: short stacking energy: -19.491
Base-Backbone interact. energy: -0.081
local terms energy: -42.592542
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -8.050
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -63.485819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.485819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.485819 (E_RNA)
where:
Base-Base interactions energy: -22.422
where: short stacking energy: -19.084
Base-Backbone interact. energy: -0.199
local terms energy: -40.864878
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: 0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -65.516516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.516516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.516516 (E_RNA)
where:
Base-Base interactions energy: -19.656
where: short stacking energy: -12.124
Base-Backbone interact. energy: -0.021
local terms energy: -45.840203
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -6.881
flat angles P-C4'-P energy: -9.615
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: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -63.466360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.466360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.466360 (E_RNA)
where:
Base-Base interactions energy: -24.619
where: short stacking energy: -18.257
Base-Backbone interact. energy: -0.192
local terms energy: -38.655227
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -8.347
flat angles P-C4'-P energy: -4.588
tors. eta vs tors. theta energy: -3.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -51.641023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.641023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.641023 (E_RNA)
where:
Base-Base interactions energy: -15.080
where: short stacking energy: -14.621
Base-Backbone interact. energy: -0.170
local terms energy: -36.390614
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -9.515
flat angles P-C4'-P energy: -3.277
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: 1, replica: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -182.471367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.471367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.471367 (E_RNA)
where:
Base-Base interactions energy: -119.062
where: short stacking energy: -47.172
Base-Backbone interact. energy: -0.002
local terms energy: -63.406802
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -182.871281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.871281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.871281 (E_RNA)
where:
Base-Base interactions energy: -118.820
where: short stacking energy: -50.909
Base-Backbone interact. energy: -0.008
local terms energy: -64.042545
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -17.717
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: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -151.273218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.273218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.273218 (E_RNA)
where:
Base-Base interactions energy: -94.785
where: short stacking energy: -33.906
Base-Backbone interact. energy: -0.435
local terms energy: -56.053641
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -6.136
tors. eta vs tors. theta energy: -8.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -173.020801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.020801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.020801 (E_RNA)
where:
Base-Base interactions energy: -111.553
where: short stacking energy: -46.053
Base-Backbone interact. energy: -0.011
local terms energy: -61.456242
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -9.149
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -100.331501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.331501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.331501 (E_RNA)
where:
Base-Base interactions energy: -57.483
where: short stacking energy: -14.721
Base-Backbone interact. energy: -0.072
local terms energy: -42.776815
where:
bonds (distance) C4'-P energy: -8.402
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -1.081
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: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -82.271310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.271310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.271310 (E_RNA)
where:
Base-Base interactions energy: -37.405
where: short stacking energy: -10.168
Base-Backbone interact. energy: 0.453
local terms energy: -45.318859
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: -2.868
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: 150
Temperature: 1.200000
Total energy: -69.918145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.918145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.918145 (E_RNA)
where:
Base-Base interactions energy: -27.115
where: short stacking energy: -10.712
Base-Backbone interact. energy: -0.202
local terms energy: -42.600834
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -3.549
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: 150
Temperature: 1.250000
Total energy: -62.004646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.004646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.004646 (E_RNA)
where:
Base-Base interactions energy: -23.112
where: short stacking energy: -12.118
Base-Backbone interact. energy: 0.802
local terms energy: -39.694700
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -66.040379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.040379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.040379 (E_RNA)
where:
Base-Base interactions energy: -26.448
where: short stacking energy: -10.564
Base-Backbone interact. energy: -0.909
local terms energy: -38.682885
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -4.698
tors. eta vs tors. theta energy: 2.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -56.878771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.878771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.878771 (E_RNA)
where:
Base-Base interactions energy: -14.081
where: short stacking energy: -14.081
Base-Backbone interact. energy: -1.116
local terms energy: -41.682290
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -6.221
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -3.574
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: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -178.707057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.707057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.707057 (E_RNA)
where:
Base-Base interactions energy: -116.533
where: short stacking energy: -46.329
Base-Backbone interact. energy: -0.077
local terms energy: -62.097379
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -15.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -160.836094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.836094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.836094 (E_RNA)
where:
Base-Base interactions energy: -101.235
where: short stacking energy: -37.953
Base-Backbone interact. energy: -0.065
local terms energy: -59.536114
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -182.256232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.256232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.256232 (E_RNA)
where:
Base-Base interactions energy: -120.981
where: short stacking energy: -48.480
Base-Backbone interact. energy: -0.674
local terms energy: -60.601450
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -174.128176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.128176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.128176 (E_RNA)
where:
Base-Base interactions energy: -109.514
where: short stacking energy: -46.281
Base-Backbone interact. energy: -0.049
local terms energy: -64.565543
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -8.501
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: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -114.534904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.534904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.534904 (E_RNA)
where:
Base-Base interactions energy: -73.099
where: short stacking energy: -22.854
Base-Backbone interact. energy: 0.902
local terms energy: -42.337790
where:
bonds (distance) C4'-P energy: -7.062
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -9.204
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -6.467
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: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -70.726717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.726717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.726717 (E_RNA)
where:
Base-Base interactions energy: -29.252
where: short stacking energy: -13.599
Base-Backbone interact. energy: -0.048
local terms energy: -41.427287
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -7.404
flat angles P-C4'-P energy: -8.902
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: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -80.108868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.108868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.108868 (E_RNA)
where:
Base-Base interactions energy: -37.138
where: short stacking energy: -23.895
Base-Backbone interact. energy: -0.591
local terms energy: -42.380046
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -69.512035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.512035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.512035 (E_RNA)
where:
Base-Base interactions energy: -25.474
where: short stacking energy: -19.963
Base-Backbone interact. energy: -0.163
local terms energy: -43.874154
where:
bonds (distance) C4'-P energy: -9.268
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -60.893200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.893200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.893200 (E_RNA)
where:
Base-Base interactions energy: -16.967
where: short stacking energy: -16.967
Base-Backbone interact. energy: -0.015
local terms energy: -43.910663
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -5.361
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: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -55.084950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.084950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.084950 (E_RNA)
where:
Base-Base interactions energy: -13.760
where: short stacking energy: -13.197
Base-Backbone interact. energy: 0.603
local terms energy: -41.928317
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -3.367
tors. eta vs tors. theta energy: -2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -153.857673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.857673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.857673 (E_RNA)
where:
Base-Base interactions energy: -104.205
where: short stacking energy: -41.490
Base-Backbone interact. energy: -0.275
local terms energy: -49.378151
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -8.882
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -9.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -173.575819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.575819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.575819 (E_RNA)
where:
Base-Base interactions energy: -114.751
where: short stacking energy: -42.758
Base-Backbone interact. energy: -0.078
local terms energy: -58.747009
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -13.318
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: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -174.346845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.346845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.346845 (E_RNA)
where:
Base-Base interactions energy: -116.197
where: short stacking energy: -45.542
Base-Backbone interact. energy: -0.025
local terms energy: -58.124797
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -5.863
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: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -165.953982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.953982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.953982 (E_RNA)
where:
Base-Base interactions energy: -109.305
where: short stacking energy: -51.197
Base-Backbone interact. energy: -0.098
local terms energy: -56.550592
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -14.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -77.769153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.769153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.769153 (E_RNA)
where:
Base-Base interactions energy: -36.518
where: short stacking energy: -26.020
Base-Backbone interact. energy: -0.036
local terms energy: -41.214239
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -6.362
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -68.585142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.585142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.585142 (E_RNA)
where:
Base-Base interactions energy: -33.089
where: short stacking energy: -8.787
Base-Backbone interact. energy: -0.382
local terms energy: -35.113571
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -4.667
tors. eta vs tors. theta energy: 1.499
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: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -84.190069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.190069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.190069 (E_RNA)
where:
Base-Base interactions energy: -44.596
where: short stacking energy: -20.869
Base-Backbone interact. energy: -0.257
local terms energy: -39.337716
where:
bonds (distance) C4'-P energy: -8.221
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -7.646
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -105.035325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.035325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.035325 (E_RNA)
where:
Base-Base interactions energy: -60.794
where: short stacking energy: -28.029
Base-Backbone interact. energy: -0.593
local terms energy: -43.648733
where:
bonds (distance) C4'-P energy: -6.511
bonds (distance) P-C4' energy: -9.064
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -7.419
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: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -64.164145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.164145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.164145 (E_RNA)
where:
Base-Base interactions energy: -25.505
where: short stacking energy: -22.885
Base-Backbone interact. energy: 3.869
local terms energy: -42.527728
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -9.846
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -57.527287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.527287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.527287 (E_RNA)
where:
Base-Base interactions energy: -21.721
where: short stacking energy: -14.763
Base-Backbone interact. energy: -0.121
local terms energy: -35.685158
where:
bonds (distance) C4'-P energy: -9.786
bonds (distance) P-C4' energy: -9.623
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -4.746
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: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -174.793643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.793643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.793643 (E_RNA)
where:
Base-Base interactions energy: -112.073
where: short stacking energy: -45.762
Base-Backbone interact. energy: -0.010
local terms energy: -62.711414
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -17.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -175.573556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.573556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.573556 (E_RNA)
where:
Base-Base interactions energy: -113.969
where: short stacking energy: -42.199
Base-Backbone interact. energy: -0.073
local terms energy: -61.531623
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -8.684
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: 3, replica: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -173.991761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.991761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.991761 (E_RNA)
where:
Base-Base interactions energy: -117.358
where: short stacking energy: -35.245
Base-Backbone interact. energy: -0.500
local terms energy: -56.133622
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -11.218
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: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -170.978657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.978657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.978657 (E_RNA)
where:
Base-Base interactions energy: -111.366
where: short stacking energy: -45.090
Base-Backbone interact. energy: -0.006
local terms energy: -59.606348
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -8.850
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: 5, replica: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -91.366216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.366216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.366216 (E_RNA)
where:
Base-Base interactions energy: -45.462
where: short stacking energy: -32.643
Base-Backbone interact. energy: -0.150
local terms energy: -45.754137
where:
bonds (distance) C4'-P energy: -9.488
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -6.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -108.547785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.547785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.547785 (E_RNA)
where:
Base-Base interactions energy: -65.279
where: short stacking energy: -26.902
Base-Backbone interact. energy: -0.006
local terms energy: -43.262996
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -8.076
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -72.627102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.627102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.627102 (E_RNA)
where:
Base-Base interactions energy: -31.073
where: short stacking energy: -14.914
Base-Backbone interact. energy: -0.393
local terms energy: -41.161012
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: 0.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -99.444788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.444788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.444788 (E_RNA)
where:
Base-Base interactions energy: -63.371
where: short stacking energy: -22.420
Base-Backbone interact. energy: -0.036
local terms energy: -36.037451
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -8.818
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -4.575
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -63.686776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.686776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.686776 (E_RNA)
where:
Base-Base interactions energy: -21.987
where: short stacking energy: -18.230
Base-Backbone interact. energy: -0.190
local terms energy: -41.509929
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -5.252
flat angles P-C4'-P energy: -8.782
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: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -53.926501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.926501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.926501 (E_RNA)
where:
Base-Base interactions energy: -19.359
where: short stacking energy: -12.229
Base-Backbone interact. energy: -0.104
local terms energy: -34.463000
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -8.893
flat angles C4'-P-C4' energy: -4.707
flat angles P-C4'-P energy: -4.587
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: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -181.781767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.781767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.781767 (E_RNA)
where:
Base-Base interactions energy: -120.314
where: short stacking energy: -47.679
Base-Backbone interact. energy: -0.001
local terms energy: -61.466567
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -16.493
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: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -178.420057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.420057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.420057 (E_RNA)
where:
Base-Base interactions energy: -110.146
where: short stacking energy: -44.150
Base-Backbone interact. energy: -0.003
local terms energy: -68.271661
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -10.363
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: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -175.773166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.773166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.773166 (E_RNA)
where:
Base-Base interactions energy: -106.928
where: short stacking energy: -45.193
Base-Backbone interact. energy: -0.048
local terms energy: -68.796233
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -16.645
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: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -169.883566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.883566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.883566 (E_RNA)
where:
Base-Base interactions energy: -109.137
where: short stacking energy: -39.223
Base-Backbone interact. energy: -0.116
local terms energy: -60.630284
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -7.589
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: 5, replica: 6
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -115.164364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.164364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.164364 (E_RNA)
where:
Base-Base interactions energy: -63.869
where: short stacking energy: -25.452
Base-Backbone interact. energy: -0.111
local terms energy: -51.184928
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -9.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -95.734494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.734494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.734494 (E_RNA)
where:
Base-Base interactions energy: -62.736
where: short stacking energy: -22.659
Base-Backbone interact. energy: -0.811
local terms energy: -32.186987
where:
bonds (distance) C4'-P energy: -8.634
bonds (distance) P-C4' energy: -8.317
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: 1.992
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: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -71.042996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.042996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.042996 (E_RNA)
where:
Base-Base interactions energy: -32.090
where: short stacking energy: -20.415
Base-Backbone interact. energy: -0.057
local terms energy: -38.896382
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -5.629
flat angles C4'-P-C4' energy: -7.950
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -67.834372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.834372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.834372 (E_RNA)
where:
Base-Base interactions energy: -30.803
where: short stacking energy: -11.769
Base-Backbone interact. energy: -0.260
local terms energy: -36.771657
where:
bonds (distance) C4'-P energy: -8.907
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -7.708
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: 9, replica: 3
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -61.591886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.591886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.591886 (E_RNA)
where:
Base-Base interactions energy: -18.188
where: short stacking energy: -17.183
Base-Backbone interact. energy: 0.011
local terms energy: -43.414847
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -4.320
tors. eta vs tors. theta energy: -1.556
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: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -56.893976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.893976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.893976 (E_RNA)
where:
Base-Base interactions energy: -29.368
where: short stacking energy: -16.302
Base-Backbone interact. energy: -0.418
local terms energy: -27.107412
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -3.586
flat angles P-C4'-P energy: -4.789
tors. eta vs tors. theta energy: 3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -183.842007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.842007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.842007 (E_RNA)
where:
Base-Base interactions energy: -121.561
where: short stacking energy: -44.448
Base-Backbone interact. energy: -0.038
local terms energy: -62.242801
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -8.293
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: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -174.218441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.218441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.218441 (E_RNA)
where:
Base-Base interactions energy: -110.854
where: short stacking energy: -42.015
Base-Backbone interact. energy: -0.007
local terms energy: -63.357275
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -171.370841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.370841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.370841 (E_RNA)
where:
Base-Base interactions energy: -108.679
where: short stacking energy: -42.159
Base-Backbone interact. energy: -0.006
local terms energy: -62.685649
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -15.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -176.316420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.316420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.316420 (E_RNA)
where:
Base-Base interactions energy: -111.475
where: short stacking energy: -45.519
Base-Backbone interact. energy: -0.001
local terms energy: -64.840575
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -105.607745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.607745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.607745 (E_RNA)
where:
Base-Base interactions energy: -56.508
where: short stacking energy: -23.095
Base-Backbone interact. energy: -0.602
local terms energy: -48.498014
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -10.625
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -7.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -110.477609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.477609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.477609 (E_RNA)
where:
Base-Base interactions energy: -65.642
where: short stacking energy: -17.244
Base-Backbone interact. energy: -0.174
local terms energy: -44.661579
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -3.636
tors. eta vs tors. theta energy: -2.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -79.549159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.549159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.549159 (E_RNA)
where:
Base-Base interactions energy: -37.433
where: short stacking energy: -15.440
Base-Backbone interact. energy: -0.143
local terms energy: -41.973649
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -8.577
flat angles C4'-P-C4' energy: -8.214
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -61.557384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.557384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.557384 (E_RNA)
where:
Base-Base interactions energy: -25.988
where: short stacking energy: -25.988
Base-Backbone interact. energy: 0.517
local terms energy: -36.085883
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -9.257
flat angles C4'-P-C4' energy: -9.672
flat angles P-C4'-P energy: -0.240
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -62.044453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.044453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.044453 (E_RNA)
where:
Base-Base interactions energy: -20.107
where: short stacking energy: -10.361
Base-Backbone interact. energy: -0.106
local terms energy: -41.831217
where:
bonds (distance) C4'-P energy: -8.054
bonds (distance) P-C4' energy: -11.438
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -64.673894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.673894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.673894 (E_RNA)
where:
Base-Base interactions energy: -28.742
where: short stacking energy: -12.426
Base-Backbone interact. energy: -0.029
local terms energy: -35.903043
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -8.987
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -175.596770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.596770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.596770 (E_RNA)
where:
Base-Base interactions energy: -115.311
where: short stacking energy: -48.570
Base-Backbone interact. energy: -0.002
local terms energy: -60.283918
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -8.904
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: 2, replica: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -180.704192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.704192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.704192 (E_RNA)
where:
Base-Base interactions energy: -123.783
where: short stacking energy: -38.710
Base-Backbone interact. energy: -0.378
local terms energy: -56.543534
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -10.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -173.072663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.072663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.072663 (E_RNA)
where:
Base-Base interactions energy: -116.560
where: short stacking energy: -47.261
Base-Backbone interact. energy: -0.019
local terms energy: -56.493970
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -9.164
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -6.685
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: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -161.952350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.952350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.952350 (E_RNA)
where:
Base-Base interactions energy: -98.405
where: short stacking energy: -44.016
Base-Backbone interact. energy: -0.216
local terms energy: -63.331825
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -95.524037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.524037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.524037 (E_RNA)
where:
Base-Base interactions energy: -47.435
where: short stacking energy: -6.192
Base-Backbone interact. energy: -0.131
local terms energy: -47.958905
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -126.551584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.551584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.551584 (E_RNA)
where:
Base-Base interactions energy: -82.971
where: short stacking energy: -27.756
Base-Backbone interact. energy: -0.126
local terms energy: -43.455176
where:
bonds (distance) C4'-P energy: -8.759
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -83.484530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.484530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.484530 (E_RNA)
where:
Base-Base interactions energy: -41.521
where: short stacking energy: -19.292
Base-Backbone interact. energy: 0.675
local terms energy: -42.638955
where:
bonds (distance) C4'-P energy: -6.039
bonds (distance) P-C4' energy: -11.174
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -7.226
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: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -67.017918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.017918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.017918 (E_RNA)
where:
Base-Base interactions energy: -20.193
where: short stacking energy: -19.449
Base-Backbone interact. energy: -0.193
local terms energy: -46.631092
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -11.858
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -3.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -60.531421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.531421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.531421 (E_RNA)
where:
Base-Base interactions energy: -15.553
where: short stacking energy: -15.553
Base-Backbone interact. energy: -0.089
local terms energy: -44.888567
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -5.125
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -4.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -56.749846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.749846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.749846 (E_RNA)
where:
Base-Base interactions energy: -21.013
where: short stacking energy: -7.007
Base-Backbone interact. energy: 0.307
local terms energy: -36.044326
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -8.333
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: 3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -180.791052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.791052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.791052 (E_RNA)
where:
Base-Base interactions energy: -113.203
where: short stacking energy: -43.382
Base-Backbone interact. energy: -0.002
local terms energy: -67.585819
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -17.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -178.890249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.890249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.890249 (E_RNA)
where:
Base-Base interactions energy: -120.091
where: short stacking energy: -49.676
Base-Backbone interact. energy: -0.001
local terms energy: -58.798263
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -16.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -180.043657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.043657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.043657 (E_RNA)
where:
Base-Base interactions energy: -123.145
where: short stacking energy: -35.923
Base-Backbone interact. energy: -0.410
local terms energy: -56.488844
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -166.146336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.146336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.146336 (E_RNA)
where:
Base-Base interactions energy: -107.625
where: short stacking energy: -46.767
Base-Backbone interact. energy: -0.002
local terms energy: -58.518934
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -13.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -76.799290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.799290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.799290 (E_RNA)
where:
Base-Base interactions energy: -42.965
where: short stacking energy: -19.671
Base-Backbone interact. energy: -0.113
local terms energy: -33.721077
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -7.232
flat angles P-C4'-P energy: -2.418
tors. eta vs tors. theta energy: 2.299
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: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -102.180061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.180061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.180061 (E_RNA)
where:
Base-Base interactions energy: -55.351
where: short stacking energy: -21.696
Base-Backbone interact. energy: -1.370
local terms energy: -45.459720
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -4.916
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -110.815172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.815172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.815172 (E_RNA)
where:
Base-Base interactions energy: -71.884
where: short stacking energy: -27.577
Base-Backbone interact. energy: -0.334
local terms energy: -38.596498
where:
bonds (distance) C4'-P energy: -4.249
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -4.256
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -57.886171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.886171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.886171 (E_RNA)
where:
Base-Base interactions energy: -15.353
where: short stacking energy: -15.353
Base-Backbone interact. energy: -1.579
local terms energy: -40.954015
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -8.690
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: 2.492
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: 9, replica: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -66.236297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.236297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.236297 (E_RNA)
where:
Base-Base interactions energy: -32.105
where: short stacking energy: -15.763
Base-Backbone interact. energy: -0.079
local terms energy: -34.052066
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -10.547
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -2.526
tors. eta vs tors. theta energy: 3.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -53.008519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.008519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.008519 (E_RNA)
where:
Base-Base interactions energy: -10.371
where: short stacking energy: -10.371
Base-Backbone interact. energy: -0.097
local terms energy: -42.540106
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -182.367987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.367987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.367987 (E_RNA)
where:
Base-Base interactions energy: -117.794
where: short stacking energy: -43.527
Base-Backbone interact. energy: -0.020
local terms energy: -64.553574
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -173.852430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.852430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.852430 (E_RNA)
where:
Base-Base interactions energy: -113.034
where: short stacking energy: -41.239
Base-Backbone interact. energy: -0.002
local terms energy: -60.816292
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -15.582
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: 3, replica: 7
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -173.015605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.015605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.015605 (E_RNA)
where:
Base-Base interactions energy: -114.698
where: short stacking energy: -47.469
Base-Backbone interact. energy: -0.417
local terms energy: -57.900488
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -11.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -167.105067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.105067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.105067 (E_RNA)
where:
Base-Base interactions energy: -117.747
where: short stacking energy: -38.901
Base-Backbone interact. energy: -0.027
local terms energy: -49.331474
where:
bonds (distance) C4'-P energy: -4.730
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -106.361315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.361315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.361315 (E_RNA)
where:
Base-Base interactions energy: -54.287
where: short stacking energy: -17.605
Base-Backbone interact. energy: -0.057
local terms energy: -52.017618
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -10.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -70.718964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.718964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.718964 (E_RNA)
where:
Base-Base interactions energy: -27.568
where: short stacking energy: -22.267
Base-Backbone interact. energy: -0.102
local terms energy: -43.049084
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -7.022
flat angles P-C4'-P energy: -3.995
tors. eta vs tors. theta energy: -5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -68.817813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.817813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.817813 (E_RNA)
where:
Base-Base interactions energy: -23.437
where: short stacking energy: -15.559
Base-Backbone interact. energy: -0.225
local terms energy: -45.156117
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -0.188
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: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -69.075297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.075297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.075297 (E_RNA)
where:
Base-Base interactions energy: -24.843
where: short stacking energy: -13.730
Base-Backbone interact. energy: -0.236
local terms energy: -43.996224
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -2.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -98.597806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.597806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.597806 (E_RNA)
where:
Base-Base interactions energy: -63.512
where: short stacking energy: -22.288
Base-Backbone interact. energy: -0.442
local terms energy: -34.643463
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -10.120
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -0.635
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: 10, replica: 3
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -63.358735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.358735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.358735 (E_RNA)
where:
Base-Base interactions energy: -18.903
where: short stacking energy: -18.635
Base-Backbone interact. energy: -0.024
local terms energy: -44.431441
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -8.382
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -1.536
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -178.838124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.838124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.838124 (E_RNA)
where:
Base-Base interactions energy: -116.983
where: short stacking energy: -47.463
Base-Backbone interact. energy: -0.005
local terms energy: -61.849395
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -17.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -176.680260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.680260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.680260 (E_RNA)
where:
Base-Base interactions energy: -109.478
where: short stacking energy: -47.612
Base-Backbone interact. energy: -0.622
local terms energy: -66.580085
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -18.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -179.137417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.137417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.137417 (E_RNA)
where:
Base-Base interactions energy: -113.025
where: short stacking energy: -47.292
Base-Backbone interact. energy: -0.022
local terms energy: -66.090558
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -18.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -170.990510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.990510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.990510 (E_RNA)
where:
Base-Base interactions energy: -118.828
where: short stacking energy: -50.252
Base-Backbone interact. energy: -0.296
local terms energy: -51.866270
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -4.252
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -4.791
tors. eta vs tors. theta energy: -16.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -93.068302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.068302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.068302 (E_RNA)
where:
Base-Base interactions energy: -52.826
where: short stacking energy: -22.312
Base-Backbone interact. energy: -0.340
local terms energy: -39.901629
where:
bonds (distance) C4'-P energy: -6.966
bonds (distance) P-C4' energy: -10.350
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -80.292265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.292265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.292265 (E_RNA)
where:
Base-Base interactions energy: -35.535
where: short stacking energy: -19.311
Base-Backbone interact. energy: -0.813
local terms energy: -43.944333
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -2.196
tors. eta vs tors. theta energy: -2.793
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: 7, replica: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -70.741642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.741642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.741642 (E_RNA)
where:
Base-Base interactions energy: -30.046
where: short stacking energy: -15.770
Base-Backbone interact. energy: -0.339
local terms energy: -40.356321
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -9.328
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -6.860
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: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -75.822271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.822271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.822271 (E_RNA)
where:
Base-Base interactions energy: -34.746
where: short stacking energy: -21.720
Base-Backbone interact. energy: -0.052
local terms energy: -41.024084
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -3.826
tors. eta vs tors. theta energy: -2.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -60.210530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.210530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.210530 (E_RNA)
where:
Base-Base interactions energy: -16.544
where: short stacking energy: -15.480
Base-Backbone interact. energy: -0.013
local terms energy: -43.652846
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -9.303
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -52.919871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.919871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.919871 (E_RNA)
where:
Base-Base interactions energy: -11.067
where: short stacking energy: -7.207
Base-Backbone interact. energy: -0.118
local terms energy: -41.734912
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -9.673
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: 1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -185.401961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.401961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.401961 (E_RNA)
where:
Base-Base interactions energy: -119.537
where: short stacking energy: -48.684
Base-Backbone interact. energy: -0.004
local terms energy: -65.860721
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.783
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: 5
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -175.591270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.591270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.591270 (E_RNA)
where:
Base-Base interactions energy: -112.750
where: short stacking energy: -49.523
Base-Backbone interact. energy: -0.037
local terms energy: -62.805008
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -9.797
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -176.318838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.318838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.318838 (E_RNA)
where:
Base-Base interactions energy: -112.885
where: short stacking energy: -44.455
Base-Backbone interact. energy: -0.030
local terms energy: -63.404589
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -174.570115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.570115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.570115 (E_RNA)
where:
Base-Base interactions energy: -108.737
where: short stacking energy: -48.992
Base-Backbone interact. energy: -0.000
local terms energy: -65.832694
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -118.668441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.668441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.668441 (E_RNA)
where:
Base-Base interactions energy: -71.492
where: short stacking energy: -32.188
Base-Backbone interact. energy: -0.194
local terms energy: -46.982084
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -2.227
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -70.711665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.711665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.711665 (E_RNA)
where:
Base-Base interactions energy: -31.330
where: short stacking energy: -31.330
Base-Backbone interact. energy: 0.723
local terms energy: -40.104720
where:
bonds (distance) C4'-P energy: -5.761
bonds (distance) P-C4' energy: -7.745
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -9.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -65.131280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.131280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.131280 (E_RNA)
where:
Base-Base interactions energy: -25.464
where: short stacking energy: -17.280
Base-Backbone interact. energy: -0.904
local terms energy: -38.764182
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -9.098
flat angles C4'-P-C4' energy: -5.501
flat angles P-C4'-P energy: -8.256
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: 8, replica: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -70.526780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.526780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.526780 (E_RNA)
where:
Base-Base interactions energy: -23.727
where: short stacking energy: -18.017
Base-Backbone interact. energy: -0.011
local terms energy: -46.789081
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -58.946000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.946000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.946000 (E_RNA)
where:
Base-Base interactions energy: -20.290
where: short stacking energy: -13.006
Base-Backbone interact. energy: -0.185
local terms energy: -38.471512
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -3.953
flat angles P-C4'-P energy: -6.583
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: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -67.542602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.542602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.542602 (E_RNA)
where:
Base-Base interactions energy: -32.573
where: short stacking energy: -20.552
Base-Backbone interact. energy: -0.227
local terms energy: -34.742383
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -3.154
tors. eta vs tors. theta energy: 1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -178.840838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.840838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.840838 (E_RNA)
where:
Base-Base interactions energy: -115.566
where: short stacking energy: -44.657
Base-Backbone interact. energy: -0.001
local terms energy: -63.274648
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -16.157
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: 2, replica: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -177.869337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.869337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.869337 (E_RNA)
where:
Base-Base interactions energy: -114.947
where: short stacking energy: -47.476
Base-Backbone interact. energy: -0.288
local terms energy: -62.634616
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -178.667988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.667988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.667988 (E_RNA)
where:
Base-Base interactions energy: -117.863
where: short stacking energy: -43.830
Base-Backbone interact. energy: -0.073
local terms energy: -60.732042
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -173.866994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.866994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.866994 (E_RNA)
where:
Base-Base interactions energy: -113.571
where: short stacking energy: -46.892
Base-Backbone interact. energy: 0.085
local terms energy: -60.380410
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -122.356068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.356068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.356068 (E_RNA)
where:
Base-Base interactions energy: -80.472
where: short stacking energy: -28.774
Base-Backbone interact. energy: -0.100
local terms energy: -41.783242
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -8.510
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -6.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -71.527066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.527066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.527066 (E_RNA)
where:
Base-Base interactions energy: -21.557
where: short stacking energy: -21.557
Base-Backbone interact. energy: -0.169
local terms energy: -49.800794
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -1.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -65.791589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.791589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.791589 (E_RNA)
where:
Base-Base interactions energy: -18.105
where: short stacking energy: -17.161
Base-Backbone interact. energy: -0.102
local terms energy: -47.583847
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -7.623
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: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -60.563742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.563742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.563742 (E_RNA)
where:
Base-Base interactions energy: -26.297
where: short stacking energy: -13.544
Base-Backbone interact. energy: -0.026
local terms energy: -34.240905
where:
bonds (distance) C4'-P energy: -7.336
bonds (distance) P-C4' energy: -11.173
flat angles C4'-P-C4' energy: -7.721
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -1.091
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: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -58.400543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.400543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.400543 (E_RNA)
where:
Base-Base interactions energy: -22.008
where: short stacking energy: -18.628
Base-Backbone interact. energy: -0.104
local terms energy: -36.288322
where:
bonds (distance) C4'-P energy: -6.710
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -53.962976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.962976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.962976 (E_RNA)
where:
Base-Base interactions energy: -12.161
where: short stacking energy: -11.894
Base-Backbone interact. energy: -0.004
local terms energy: -41.798649
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: 2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -175.122515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.122515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.122515 (E_RNA)
where:
Base-Base interactions energy: -116.127
where: short stacking energy: -48.318
Base-Backbone interact. energy: -0.024
local terms energy: -58.972030
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -15.845
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: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -177.709371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.709371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.709371 (E_RNA)
where:
Base-Base interactions energy: -117.039
where: short stacking energy: -41.534
Base-Backbone interact. energy: -0.092
local terms energy: -60.577869
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -11.273
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: 3, replica: 9
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -180.991769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.991769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.991769 (E_RNA)
where:
Base-Base interactions energy: -117.540
where: short stacking energy: -49.200
Base-Backbone interact. energy: -0.028
local terms energy: -63.423968
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -169.513718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.513718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.513718 (E_RNA)
where:
Base-Base interactions energy: -109.473
where: short stacking energy: -45.982
Base-Backbone interact. energy: -0.241
local terms energy: -59.799461
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -138.378610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.378610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.378610 (E_RNA)
where:
Base-Base interactions energy: -87.646
where: short stacking energy: -36.238
Base-Backbone interact. energy: -0.017
local terms energy: -50.716018
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -6.342
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -10.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -62.889801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.889801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.889801 (E_RNA)
where:
Base-Base interactions energy: -26.193
where: short stacking energy: -10.362
Base-Backbone interact. energy: -0.256
local terms energy: -36.440948
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -8.138
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: 3.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -70.845514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.845514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.845514 (E_RNA)
where:
Base-Base interactions energy: -24.306
where: short stacking energy: -22.837
Base-Backbone interact. energy: 1.217
local terms energy: -47.756662
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -9.977
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -67.678644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.678644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.678644 (E_RNA)
where:
Base-Base interactions energy: -28.478
where: short stacking energy: -18.660
Base-Backbone interact. energy: -0.165
local terms energy: -39.034844
where:
bonds (distance) C4'-P energy: -7.624
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: 0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -62.439238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.439238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.439238 (E_RNA)
where:
Base-Base interactions energy: -10.624
where: short stacking energy: -10.624
Base-Backbone interact. energy: -0.231
local terms energy: -51.584082
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -60.855441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.855441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.855441 (E_RNA)
where:
Base-Base interactions energy: -17.966
where: short stacking energy: -17.966
Base-Backbone interact. energy: -0.149
local terms energy: -42.740137
where:
bonds (distance) C4'-P energy: -8.846
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -177.856802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.856802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.856802 (E_RNA)
where:
Base-Base interactions energy: -115.761
where: short stacking energy: -45.022
Base-Backbone interact. energy: -0.069
local terms energy: -62.027269
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -16.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -175.069679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.069679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.069679 (E_RNA)
where:
Base-Base interactions energy: -114.646
where: short stacking energy: -50.006
Base-Backbone interact. energy: -0.001
local terms energy: -60.422818
where:
bonds (distance) C4'-P energy: -9.538
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -174.137932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.137932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.137932 (E_RNA)
where:
Base-Base interactions energy: -114.713
where: short stacking energy: -47.877
Base-Backbone interact. energy: -0.009
local terms energy: -59.415735
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -9.066
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -15.744
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: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -170.420589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.420589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.420589 (E_RNA)
where:
Base-Base interactions energy: -105.371
where: short stacking energy: -42.178
Base-Backbone interact. energy: -0.020
local terms energy: -65.029862
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -143.212566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.212566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.212566 (E_RNA)
where:
Base-Base interactions energy: -97.482
where: short stacking energy: -23.600
Base-Backbone interact. energy: -0.369
local terms energy: -45.361325
where:
bonds (distance) C4'-P energy: -7.189
bonds (distance) P-C4' energy: -11.125
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -7.267
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: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -75.710206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.710206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.710206 (E_RNA)
where:
Base-Base interactions energy: -45.534
where: short stacking energy: -18.851
Base-Backbone interact. energy: -0.196
local terms energy: -29.981175
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -9.421
flat angles P-C4'-P energy: 2.634
tors. eta vs tors. theta energy: 2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -65.876136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.876136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.876136 (E_RNA)
where:
Base-Base interactions energy: -20.030
where: short stacking energy: -10.915
Base-Backbone interact. energy: -0.156
local terms energy: -45.689824
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -8.345
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: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -71.226972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.226972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.226972 (E_RNA)
where:
Base-Base interactions energy: -19.521
where: short stacking energy: -19.521
Base-Backbone interact. energy: 0.644
local terms energy: -52.350063
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -61.926092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.926092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.926092 (E_RNA)
where:
Base-Base interactions energy: -15.786
where: short stacking energy: -15.786
Base-Backbone interact. energy: -0.159
local terms energy: -45.981090
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -7.671
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -4.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -56.735128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.735128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.735128 (E_RNA)
where:
Base-Base interactions energy: -17.931
where: short stacking energy: -15.757
Base-Backbone interact. energy: -0.289
local terms energy: -38.515054
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -9.258
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -179.815622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.815622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.815622 (E_RNA)
where:
Base-Base interactions energy: -118.664
where: short stacking energy: -54.049
Base-Backbone interact. energy: -0.024
local terms energy: -61.128131
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -8.526
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -17.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -179.217116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.217116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.217116 (E_RNA)
where:
Base-Base interactions energy: -114.812
where: short stacking energy: -45.147
Base-Backbone interact. energy: -0.207
local terms energy: -64.197709
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -176.956696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.956696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.956696 (E_RNA)
where:
Base-Base interactions energy: -116.614
where: short stacking energy: -39.355
Base-Backbone interact. energy: -0.143
local terms energy: -60.199725
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -16.443
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: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -173.485121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.485121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.485121 (E_RNA)
where:
Base-Base interactions energy: -110.910
where: short stacking energy: -49.611
Base-Backbone interact. energy: -0.012
local terms energy: -62.563064
where:
bonds (distance) C4'-P energy: -9.123
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -18.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -153.438901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.438901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.438901 (E_RNA)
where:
Base-Base interactions energy: -98.570
where: short stacking energy: -30.272
Base-Backbone interact. energy: -0.248
local terms energy: -54.620668
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: -11.635
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: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -74.410735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.410735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.410735 (E_RNA)
where:
Base-Base interactions energy: -28.996
where: short stacking energy: -17.330
Base-Backbone interact. energy: -0.558
local terms energy: -44.856456
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: 0.646
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: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -77.574072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.574072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.574072 (E_RNA)
where:
Base-Base interactions energy: -33.289
where: short stacking energy: -20.445
Base-Backbone interact. energy: -0.080
local terms energy: -44.205476
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -63.612842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.612842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.612842 (E_RNA)
where:
Base-Base interactions energy: -20.648
where: short stacking energy: -21.074
Base-Backbone interact. energy: -0.579
local terms energy: -42.384886
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -3.813
tors. eta vs tors. theta energy: -4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -65.352668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.352668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.352668 (E_RNA)
where:
Base-Base interactions energy: -28.712
where: short stacking energy: -18.728
Base-Backbone interact. energy: -0.890
local terms energy: -35.750525
where:
bonds (distance) C4'-P energy: -8.752
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: -2.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -61.832063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.832063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.832063 (E_RNA)
where:
Base-Base interactions energy: -21.488
where: short stacking energy: -16.105
Base-Backbone interact. energy: -1.133
local terms energy: -39.210970
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -9.180
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -185.886885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.886885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.886885 (E_RNA)
where:
Base-Base interactions energy: -122.840
where: short stacking energy: -42.905
Base-Backbone interact. energy: -0.026
local terms energy: -63.020805
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -14.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -178.792501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.792501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.792501 (E_RNA)
where:
Base-Base interactions energy: -115.542
where: short stacking energy: -47.313
Base-Backbone interact. energy: -0.027
local terms energy: -63.223028
where:
bonds (distance) C4'-P energy: -9.335
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -18.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -177.103250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.103250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.103250 (E_RNA)
where:
Base-Base interactions energy: -115.239
where: short stacking energy: -45.023
Base-Backbone interact. energy: -0.009
local terms energy: -61.855109
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -168.879577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.879577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.879577 (E_RNA)
where:
Base-Base interactions energy: -112.546
where: short stacking energy: -42.806
Base-Backbone interact. energy: -0.087
local terms energy: -56.246486
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -2.211
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: 5, replica: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -162.970261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.970261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.970261 (E_RNA)
where:
Base-Base interactions energy: -105.558
where: short stacking energy: -41.969
Base-Backbone interact. energy: -0.066
local terms energy: -57.346870
where:
bonds (distance) C4'-P energy: -8.569
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -10.134
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: 6, replica: 6
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -74.260029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.260029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.260029 (E_RNA)
where:
Base-Base interactions energy: -22.506
where: short stacking energy: -8.764
Base-Backbone interact. energy: -0.617
local terms energy: -51.136666
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -4.822
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: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -66.901582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.901582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.901582 (E_RNA)
where:
Base-Base interactions energy: -25.381
where: short stacking energy: -3.472
Base-Backbone interact. energy: -0.195
local terms energy: -41.325600
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -4.616
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: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -65.317060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.317060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.317060 (E_RNA)
where:
Base-Base interactions energy: -17.269
where: short stacking energy: -17.444
Base-Backbone interact. energy: -0.069
local terms energy: -47.978872
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -63.937307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.937307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.937307 (E_RNA)
where:
Base-Base interactions energy: -21.603
where: short stacking energy: -17.466
Base-Backbone interact. energy: -0.225
local terms energy: -42.108974
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -10.061
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -9.493
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: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -59.850355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.850355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.850355 (E_RNA)
where:
Base-Base interactions energy: -26.619
where: short stacking energy: -14.466
Base-Backbone interact. energy: -0.130
local terms energy: -33.101539
where:
bonds (distance) C4'-P energy: -8.800
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -6.589
flat angles P-C4'-P energy: -3.844
tors. eta vs tors. theta energy: -0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -179.464474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.464474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.464474 (E_RNA)
where:
Base-Base interactions energy: -112.254
where: short stacking energy: -42.802
Base-Backbone interact. energy: -0.001
local terms energy: -67.209534
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -10.472
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: 9
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -174.016156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.016156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.016156 (E_RNA)
where:
Base-Base interactions energy: -112.667
where: short stacking energy: -41.503
Base-Backbone interact. energy: -0.072
local terms energy: -61.277637
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -14.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -170.759215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.759215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.759215 (E_RNA)
where:
Base-Base interactions energy: -114.030
where: short stacking energy: -48.756
Base-Backbone interact. energy: -0.114
local terms energy: -56.615614
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -12.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -156.491185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.491185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.491185 (E_RNA)
where:
Base-Base interactions energy: -99.334
where: short stacking energy: -32.952
Base-Backbone interact. energy: -0.196
local terms energy: -56.961060
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -10.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -162.650550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.650550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.650550 (E_RNA)
where:
Base-Base interactions energy: -104.711
where: short stacking energy: -37.208
Base-Backbone interact. energy: -0.883
local terms energy: -57.056051
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -74.788398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.788398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.788398 (E_RNA)
where:
Base-Base interactions energy: -32.289
where: short stacking energy: -13.862
Base-Backbone interact. energy: -0.910
local terms energy: -41.589738
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -7.969
flat angles P-C4'-P energy: -9.791
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: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -70.474215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.474215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.474215 (E_RNA)
where:
Base-Base interactions energy: -33.423
where: short stacking energy: -14.955
Base-Backbone interact. energy: -0.155
local terms energy: -36.896165
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -8.995
flat angles P-C4'-P energy: -0.392
tors. eta vs tors. theta energy: -1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -69.529317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.529317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.529317 (E_RNA)
where:
Base-Base interactions energy: -40.131
where: short stacking energy: -8.809
Base-Backbone interact. energy: 0.473
local terms energy: -29.871735
where:
bonds (distance) C4'-P energy: -8.576
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -3.330
flat angles P-C4'-P energy: -8.132
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: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -54.360139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.360139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.360139 (E_RNA)
where:
Base-Base interactions energy: -10.348
where: short stacking energy: -10.348
Base-Backbone interact. energy: -0.114
local terms energy: -43.898351
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -8.669
flat angles P-C4'-P energy: -4.620
tors. eta vs tors. theta energy: -2.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -60.509655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.509655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.509655 (E_RNA)
where:
Base-Base interactions energy: -18.578
where: short stacking energy: -8.917
Base-Backbone interact. energy: -0.179
local terms energy: -41.752655
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -5.503
tors. eta vs tors. theta energy: -2.185
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: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -182.419983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.419983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.419983 (E_RNA)
where:
Base-Base interactions energy: -120.383
where: short stacking energy: -48.038
Base-Backbone interact. energy: -0.736
local terms energy: -61.301508
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -177.550007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.550007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.550007 (E_RNA)
where:
Base-Base interactions energy: -113.993
where: short stacking energy: -47.234
Base-Backbone interact. energy: -0.598
local terms energy: -62.959549
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -6.827
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: 3, replica: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -176.177083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.177083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.177083 (E_RNA)
where:
Base-Base interactions energy: -117.178
where: short stacking energy: -50.672
Base-Backbone interact. energy: -0.023
local terms energy: -58.975918
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -170.738516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.738516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.738516 (E_RNA)
where:
Base-Base interactions energy: -112.637
where: short stacking energy: -43.430
Base-Backbone interact. energy: -0.003
local terms energy: -58.099216
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -14.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -150.286788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.286788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.286788 (E_RNA)
where:
Base-Base interactions energy: -99.104
where: short stacking energy: -39.629
Base-Backbone interact. energy: -0.421
local terms energy: -50.761860
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -10.311
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -11.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -89.774963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.774963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.774963 (E_RNA)
where:
Base-Base interactions energy: -41.560
where: short stacking energy: -17.420
Base-Backbone interact. energy: -0.430
local terms energy: -47.784422
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -1.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -83.230624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.230624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.230624 (E_RNA)
where:
Base-Base interactions energy: -39.950
where: short stacking energy: -24.439
Base-Backbone interact. energy: -0.188
local terms energy: -43.091897
where:
bonds (distance) C4'-P energy: -9.244
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -8.623
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: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -62.524953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.524953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.524953 (E_RNA)
where:
Base-Base interactions energy: -29.501
where: short stacking energy: -18.468
Base-Backbone interact. energy: -0.561
local terms energy: -32.463222
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -4.764
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: 0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -62.796125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.796125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.796125 (E_RNA)
where:
Base-Base interactions energy: -36.279
where: short stacking energy: -15.834
Base-Backbone interact. energy: 2.563
local terms energy: -29.080097
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -7.517
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: 1.350
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: 10, replica: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -58.294551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.294551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.294551 (E_RNA)
where:
Base-Base interactions energy: -20.441
where: short stacking energy: -11.681
Base-Backbone interact. energy: -0.260
local terms energy: -37.593512
where:
bonds (distance) C4'-P energy: -9.037
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: 3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -179.865943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.865943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.865943 (E_RNA)
where:
Base-Base interactions energy: -112.401
where: short stacking energy: -44.502
Base-Backbone interact. energy: -0.015
local terms energy: -67.450351
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -14.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -177.050006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.050006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.050006 (E_RNA)
where:
Base-Base interactions energy: -114.870
where: short stacking energy: -51.655
Base-Backbone interact. energy: -0.000
local terms energy: -62.179561
where:
bonds (distance) C4'-P energy: -6.739
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -11.476
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: 9
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -174.875373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.875373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.875373 (E_RNA)
where:
Base-Base interactions energy: -130.342
where: short stacking energy: -39.160
Base-Backbone interact. energy: -0.315
local terms energy: -44.218730
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -6.604
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -1.170
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: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -166.280877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.280877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.280877 (E_RNA)
where:
Base-Base interactions energy: -104.347
where: short stacking energy: -45.243
Base-Backbone interact. energy: -0.692
local terms energy: -61.241143
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -147.864861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.864861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.864861 (E_RNA)
where:
Base-Base interactions energy: -95.354
where: short stacking energy: -35.682
Base-Backbone interact. energy: -0.017
local terms energy: -52.494388
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -73.381532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.381532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.381532 (E_RNA)
where:
Base-Base interactions energy: -28.246
where: short stacking energy: -24.957
Base-Backbone interact. energy: 0.780
local terms energy: -45.915864
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -7.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -62.527327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.527327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.527327 (E_RNA)
where:
Base-Base interactions energy: -22.613
where: short stacking energy: -13.983
Base-Backbone interact. energy: 0.267
local terms energy: -40.181716
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -8.838
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -71.304400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.304400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.304400 (E_RNA)
where:
Base-Base interactions energy: -38.006
where: short stacking energy: -9.259
Base-Backbone interact. energy: -0.223
local terms energy: -33.075981
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -9.009
flat angles C4'-P-C4' energy: -5.093
flat angles P-C4'-P energy: -5.571
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: 9, replica: 3
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -71.778446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.778446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.778446 (E_RNA)
where:
Base-Base interactions energy: -39.761
where: short stacking energy: -18.835
Base-Backbone interact. energy: -0.110
local terms energy: -31.908082
where:
bonds (distance) C4'-P energy: -8.672
bonds (distance) P-C4' energy: -3.834
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -3.386
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -59.032577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.032577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.032577 (E_RNA)
where:
Base-Base interactions energy: -29.033
where: short stacking energy: -13.723
Base-Backbone interact. energy: -0.068
local terms energy: -29.931942
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -5.950
flat angles P-C4'-P energy: -3.116
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: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -187.320297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.320297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.320297 (E_RNA)
where:
Base-Base interactions energy: -120.557
where: short stacking energy: -46.694
Base-Backbone interact. energy: -0.631
local terms energy: -66.132479
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -179.828256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.828256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.828256 (E_RNA)
where:
Base-Base interactions energy: -122.589
where: short stacking energy: -41.915
Base-Backbone interact. energy: 0.299
local terms energy: -57.537681
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -168.194940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.194940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.194940 (E_RNA)
where:
Base-Base interactions energy: -108.429
where: short stacking energy: -41.277
Base-Backbone interact. energy: -0.336
local terms energy: -59.429217
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -14.781
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: 169
Temperature: 1.050000
Total energy: -164.551912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.551912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.551912 (E_RNA)
where:
Base-Base interactions energy: -108.679
where: short stacking energy: -37.696
Base-Backbone interact. energy: -1.012
local terms energy: -54.860868
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -9.564
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -13.881
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: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -171.592276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.592276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.592276 (E_RNA)
where:
Base-Base interactions energy: -113.650
where: short stacking energy: -44.488
Base-Backbone interact. energy: -0.006
local terms energy: -57.936647
where:
bonds (distance) C4'-P energy: -8.362
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -17.483
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: 8
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -65.236514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.236514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.236514 (E_RNA)
where:
Base-Base interactions energy: -22.549
where: short stacking energy: -22.549
Base-Backbone interact. energy: 0.963
local terms energy: -43.650564
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -9.460
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -90.874612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.874612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.874612 (E_RNA)
where:
Base-Base interactions energy: -48.146
where: short stacking energy: -28.693
Base-Backbone interact. energy: -0.166
local terms energy: -42.562779
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: -5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -106.410123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.410123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.410123 (E_RNA)
where:
Base-Base interactions energy: -68.567
where: short stacking energy: -21.367
Base-Backbone interact. energy: -0.192
local terms energy: -37.651096
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -1.742
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: 9, replica: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -63.203503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.203503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.203503 (E_RNA)
where:
Base-Base interactions energy: -22.895
where: short stacking energy: -22.895
Base-Backbone interact. energy: -0.050
local terms energy: -40.258895
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -5.427
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -58.692023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.692023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.692023 (E_RNA)
where:
Base-Base interactions energy: -17.037
where: short stacking energy: -12.129
Base-Backbone interact. energy: -0.175
local terms energy: -41.480381
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -5.452
tors. eta vs tors. theta energy: 2.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -178.988313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.988313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.988313 (E_RNA)
where:
Base-Base interactions energy: -116.591
where: short stacking energy: -43.322
Base-Backbone interact. energy: -0.147
local terms energy: -62.251113
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -15.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -178.563757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.563757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.563757 (E_RNA)
where:
Base-Base interactions energy: -119.041
where: short stacking energy: -49.450
Base-Backbone interact. energy: -0.026
local terms energy: -59.496274
where:
bonds (distance) C4'-P energy: -8.188
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -172.876168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.876168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.876168 (E_RNA)
where:
Base-Base interactions energy: -111.925
where: short stacking energy: -46.018
Base-Backbone interact. energy: -0.551
local terms energy: -60.399434
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -7.726
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: 4, replica: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -168.300082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.300082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.300082 (E_RNA)
where:
Base-Base interactions energy: -105.528
where: short stacking energy: -41.296
Base-Backbone interact. energy: -0.733
local terms energy: -62.039032
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -14.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -69.619605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.619605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.619605 (E_RNA)
where:
Base-Base interactions energy: -29.872
where: short stacking energy: -22.636
Base-Backbone interact. energy: -0.217
local terms energy: -39.530296
where:
bonds (distance) C4'-P energy: -8.660
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -7.066
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -2.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -130.253468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.253468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.253468 (E_RNA)
where:
Base-Base interactions energy: -81.583
where: short stacking energy: -30.824
Base-Backbone interact. energy: -0.015
local terms energy: -48.654926
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -9.965
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -77.798833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.798833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.798833 (E_RNA)
where:
Base-Base interactions energy: -33.480
where: short stacking energy: -22.855
Base-Backbone interact. energy: -0.016
local terms energy: -44.303048
where:
bonds (distance) C4'-P energy: -8.005
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -8.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -70.032390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.032390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.032390 (E_RNA)
where:
Base-Base interactions energy: -26.673
where: short stacking energy: -22.955
Base-Backbone interact. energy: 1.395
local terms energy: -44.754271
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -1.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -73.631106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.631106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.631106 (E_RNA)
where:
Base-Base interactions energy: -46.224
where: short stacking energy: -22.478
Base-Backbone interact. energy: -0.058
local terms energy: -27.348917
where:
bonds (distance) C4'-P energy: -7.798
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: 1.384
tors. eta vs tors. theta energy: -0.825
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: 10, replica: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -60.297450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.297450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.297450 (E_RNA)
where:
Base-Base interactions energy: -17.507
where: short stacking energy: -16.554
Base-Backbone interact. energy: -0.098
local terms energy: -42.692956
where:
bonds (distance) C4'-P energy: -9.973
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -6.697
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: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -181.115939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.115939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.115939 (E_RNA)
where:
Base-Base interactions energy: -115.024
where: short stacking energy: -46.348
Base-Backbone interact. energy: -0.007
local terms energy: -66.084787
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -174.583621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.583621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.583621 (E_RNA)
where:
Base-Base interactions energy: -111.631
where: short stacking energy: -40.786
Base-Backbone interact. energy: -0.046
local terms energy: -62.907284
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -175.159860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.159860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.159860 (E_RNA)
where:
Base-Base interactions energy: -113.686
where: short stacking energy: -48.237
Base-Backbone interact. energy: -0.012
local terms energy: -61.462125
where:
bonds (distance) C4'-P energy: -8.143
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -173.664123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.664123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.664123 (E_RNA)
where:
Base-Base interactions energy: -109.653
where: short stacking energy: -41.777
Base-Backbone interact. energy: -0.034
local terms energy: -63.976667
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -14.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -81.969042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.969042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.969042 (E_RNA)
where:
Base-Base interactions energy: -34.777
where: short stacking energy: -24.444
Base-Backbone interact. energy: -0.403
local terms energy: -46.789002
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -2.639
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: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -131.689855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.689855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.689855 (E_RNA)
where:
Base-Base interactions energy: -85.571
where: short stacking energy: -20.874
Base-Backbone interact. energy: -0.278
local terms energy: -45.841123
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -7.536
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -75.709982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.709982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.709982 (E_RNA)
where:
Base-Base interactions energy: -36.447
where: short stacking energy: -17.209
Base-Backbone interact. energy: -0.198
local terms energy: -39.065890
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -0.298
tors. eta vs tors. theta energy: 0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -73.081219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.081219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.081219 (E_RNA)
where:
Base-Base interactions energy: -35.037
where: short stacking energy: -13.480
Base-Backbone interact. energy: -0.883
local terms energy: -37.161086
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -8.880
flat angles P-C4'-P energy: -5.076
tors. eta vs tors. theta energy: 0.646
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: 171
Temperature: 1.300000
Total energy: -60.012458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.012458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.012458 (E_RNA)
where:
Base-Base interactions energy: -18.428
where: short stacking energy: -13.879
Base-Backbone interact. energy: -0.048
local terms energy: -41.536414
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -6.296
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: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -65.682648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.682648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.682648 (E_RNA)
where:
Base-Base interactions energy: -20.667
where: short stacking energy: -20.667
Base-Backbone interact. energy: -0.054
local terms energy: -44.962333
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -8.590
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -8.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -180.005237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.005237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.005237 (E_RNA)
where:
Base-Base interactions energy: -115.508
where: short stacking energy: -46.283
Base-Backbone interact. energy: -0.002
local terms energy: -64.494772
where:
bonds (distance) C4'-P energy: -10.568
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -175.868065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.868065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.868065 (E_RNA)
where:
Base-Base interactions energy: -113.295
where: short stacking energy: -40.891
Base-Backbone interact. energy: -0.042
local terms energy: -62.530771
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -18.889
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: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -178.490590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.490590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.490590 (E_RNA)
where:
Base-Base interactions energy: -110.730
where: short stacking energy: -46.080
Base-Backbone interact. energy: -1.316
local terms energy: -66.445325
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -177.666353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.666353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.666353 (E_RNA)
where:
Base-Base interactions energy: -114.065
where: short stacking energy: -45.546
Base-Backbone interact. energy: -0.857
local terms energy: -62.744223
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -128.330269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.330269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.330269 (E_RNA)
where:
Base-Base interactions energy: -88.070
where: short stacking energy: -35.746
Base-Backbone interact. energy: -0.090
local terms energy: -40.170053
where:
bonds (distance) C4'-P energy: -7.873
bonds (distance) P-C4' energy: -12.273
flat angles C4'-P-C4' energy: -8.422
flat angles P-C4'-P energy: -3.116
tors. eta vs tors. theta energy: -8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -73.722035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.722035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.722035 (E_RNA)
where:
Base-Base interactions energy: -24.207
where: short stacking energy: -20.732
Base-Backbone interact. energy: -0.001
local terms energy: -49.514076
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -7.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -81.575825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.575825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.575825 (E_RNA)
where:
Base-Base interactions energy: -34.855
where: short stacking energy: -15.085
Base-Backbone interact. energy: -0.179
local terms energy: -46.541681
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -8.732
flat angles P-C4'-P energy: -8.182
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: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -62.358410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.358410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.358410 (E_RNA)
where:
Base-Base interactions energy: -27.184
where: short stacking energy: -10.588
Base-Backbone interact. energy: -0.194
local terms energy: -34.981212
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -4.189
flat angles P-C4'-P energy: -5.205
tors. eta vs tors. theta energy: -2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -60.565398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.565398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.565398 (E_RNA)
where:
Base-Base interactions energy: -20.750
where: short stacking energy: -12.426
Base-Backbone interact. energy: -0.325
local terms energy: -39.490921
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -3.572
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -60.973367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.973367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.973367 (E_RNA)
where:
Base-Base interactions energy: -23.611
where: short stacking energy: -20.411
Base-Backbone interact. energy: 0.833
local terms energy: -38.195995
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -5.341
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -181.018662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.018662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.018662 (E_RNA)
where:
Base-Base interactions energy: -117.257
where: short stacking energy: -46.553
Base-Backbone interact. energy: -0.002
local terms energy: -63.758878
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -16.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -178.042048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.042048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.042048 (E_RNA)
where:
Base-Base interactions energy: -111.506
where: short stacking energy: -45.517
Base-Backbone interact. energy: -0.009
local terms energy: -66.526381
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -10.996
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: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -164.939424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.939424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.939424 (E_RNA)
where:
Base-Base interactions energy: -104.655
where: short stacking energy: -37.404
Base-Backbone interact. energy: -0.027
local terms energy: -60.258016
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -175.457266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.457266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.457266 (E_RNA)
where:
Base-Base interactions energy: -114.591
where: short stacking energy: -48.996
Base-Backbone interact. energy: 0.400
local terms energy: -61.265664
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -131.432253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.432253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.432253 (E_RNA)
where:
Base-Base interactions energy: -77.680
where: short stacking energy: -34.513
Base-Backbone interact. energy: -0.521
local terms energy: -53.231753
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -8.076
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -11.272
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: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -67.771274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.771274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.771274 (E_RNA)
where:
Base-Base interactions energy: -32.073
where: short stacking energy: -23.181
Base-Backbone interact. energy: -0.099
local terms energy: -35.599413
where:
bonds (distance) C4'-P energy: -8.979
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -7.945
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -73.482966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.482966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.482966 (E_RNA)
where:
Base-Base interactions energy: -25.327
where: short stacking energy: -13.675
Base-Backbone interact. energy: -0.173
local terms energy: -47.983599
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -66.223852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.223852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.223852 (E_RNA)
where:
Base-Base interactions energy: -19.437
where: short stacking energy: -12.346
Base-Backbone interact. energy: -0.104
local terms energy: -46.682887
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -60.008361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.008361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.008361 (E_RNA)
where:
Base-Base interactions energy: -15.164
where: short stacking energy: -14.870
Base-Backbone interact. energy: -0.036
local terms energy: -44.808265
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -1.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -57.758750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.758750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.758750 (E_RNA)
where:
Base-Base interactions energy: -22.494
where: short stacking energy: -19.938
Base-Backbone interact. energy: -1.108
local terms energy: -34.156657
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -7.149
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -4.181
tors. eta vs tors. theta energy: -0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -185.231390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.231390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.231390 (E_RNA)
where:
Base-Base interactions energy: -118.747
where: short stacking energy: -47.093
Base-Backbone interact. energy: -0.161
local terms energy: -66.323051
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -16.138
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: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -178.693151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.693151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.693151 (E_RNA)
where:
Base-Base interactions energy: -117.994
where: short stacking energy: -41.954
Base-Backbone interact. energy: -0.173
local terms energy: -60.525238
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -9.805
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: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -167.002779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.002779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.002779 (E_RNA)
where:
Base-Base interactions energy: -108.109
where: short stacking energy: -37.330
Base-Backbone interact. energy: -0.109
local terms energy: -58.784450
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -11.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -168.446139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.446139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.446139 (E_RNA)
where:
Base-Base interactions energy: -112.801
where: short stacking energy: -42.217
Base-Backbone interact. energy: -0.083
local terms energy: -55.562171
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -11.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -134.442063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.442063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.442063 (E_RNA)
where:
Base-Base interactions energy: -77.525
where: short stacking energy: -26.113
Base-Backbone interact. energy: -0.017
local terms energy: -56.899828
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -11.291
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: 174
Temperature: 1.150000
Total energy: -88.386893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.386893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.386893 (E_RNA)
where:
Base-Base interactions energy: -41.387
where: short stacking energy: -20.243
Base-Backbone interact. energy: -0.115
local terms energy: -46.884548
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -5.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -80.103450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.103450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.103450 (E_RNA)
where:
Base-Base interactions energy: -35.218
where: short stacking energy: -35.218
Base-Backbone interact. energy: -0.064
local terms energy: -44.820799
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -7.885
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -6.345
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: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -67.234933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.234933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.234933 (E_RNA)
where:
Base-Base interactions energy: -30.766
where: short stacking energy: -13.757
Base-Backbone interact. energy: -0.296
local terms energy: -36.173301
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -7.309
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -0.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -59.530952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.530952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.530952 (E_RNA)
where:
Base-Base interactions energy: -18.564
where: short stacking energy: -15.470
Base-Backbone interact. energy: -0.085
local terms energy: -40.881901
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -10.911
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: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -57.239566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.239566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.239566 (E_RNA)
where:
Base-Base interactions energy: -13.432
where: short stacking energy: -12.019
Base-Backbone interact. energy: -0.790
local terms energy: -43.016937
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -7.876
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: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -182.341297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.341297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.341297 (E_RNA)
where:
Base-Base interactions energy: -117.759
where: short stacking energy: -47.585
Base-Backbone interact. energy: -0.001
local terms energy: -64.582119
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -176.110070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.110070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.110070 (E_RNA)
where:
Base-Base interactions energy: -116.854
where: short stacking energy: -45.082
Base-Backbone interact. energy: -0.005
local terms energy: -59.250643
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -9.266
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -16.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -171.666029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.666029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.666029 (E_RNA)
where:
Base-Base interactions energy: -112.866
where: short stacking energy: -43.069
Base-Backbone interact. energy: -0.002
local terms energy: -58.798046
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -9.358
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -163.539141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.539141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.539141 (E_RNA)
where:
Base-Base interactions energy: -108.191
where: short stacking energy: -39.420
Base-Backbone interact. energy: -0.539
local terms energy: -54.808243
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -10.047
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -12.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -138.989807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.989807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.989807 (E_RNA)
where:
Base-Base interactions energy: -90.347
where: short stacking energy: -31.236
Base-Backbone interact. energy: -0.145
local terms energy: -48.497615
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -8.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -84.045603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.045603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.045603 (E_RNA)
where:
Base-Base interactions energy: -38.438
where: short stacking energy: -13.894
Base-Backbone interact. energy: -0.624
local terms energy: -44.982878
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -7.071
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -76.082307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.082307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.082307 (E_RNA)
where:
Base-Base interactions energy: -35.737
where: short stacking energy: -23.742
Base-Backbone interact. energy: -0.046
local terms energy: -40.299514
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -6.128
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -6.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -62.923891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.923891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.923891 (E_RNA)
where:
Base-Base interactions energy: -22.886
where: short stacking energy: -16.592
Base-Backbone interact. energy: -0.077
local terms energy: -39.960770
where:
bonds (distance) C4'-P energy: -7.567
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -58.452712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.452712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.452712 (E_RNA)
where:
Base-Base interactions energy: -27.874
where: short stacking energy: -19.346
Base-Backbone interact. energy: -0.416
local terms energy: -30.162382
where:
bonds (distance) C4'-P energy: -6.890
bonds (distance) P-C4' energy: -8.869
flat angles C4'-P-C4' energy: -6.329
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: 0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -57.869537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.869537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.869537 (E_RNA)
where:
Base-Base interactions energy: -18.763
where: short stacking energy: -13.768
Base-Backbone interact. energy: -0.278
local terms energy: -38.828803
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -8.660
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -182.058136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.058136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.058136 (E_RNA)
where:
Base-Base interactions energy: -111.470
where: short stacking energy: -44.385
Base-Backbone interact. energy: -0.639
local terms energy: -69.948544
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -174.634381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.634381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.634381 (E_RNA)
where:
Base-Base interactions energy: -114.126
where: short stacking energy: -47.171
Base-Backbone interact. energy: -0.001
local terms energy: -60.507546
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -9.779
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: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -180.140667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.140667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.140667 (E_RNA)
where:
Base-Base interactions energy: -109.401
where: short stacking energy: -47.674
Base-Backbone interact. energy: -0.008
local terms energy: -70.732092
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -18.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -171.077912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.077912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.077912 (E_RNA)
where:
Base-Base interactions energy: -115.569
where: short stacking energy: -46.123
Base-Backbone interact. energy: -0.068
local terms energy: -55.441431
where:
bonds (distance) C4'-P energy: -7.335
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -17.052
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: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -166.005798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.005798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.005798 (E_RNA)
where:
Base-Base interactions energy: -103.660
where: short stacking energy: -40.423
Base-Backbone interact. energy: -0.082
local terms energy: -62.263300
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -81.256361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.256361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.256361 (E_RNA)
where:
Base-Base interactions energy: -39.034
where: short stacking energy: -20.324
Base-Backbone interact. energy: 0.816
local terms energy: -43.038816
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -10.801
flat angles C4'-P-C4' energy: -8.267
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -5.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -67.957252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.957252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.957252 (E_RNA)
where:
Base-Base interactions energy: -23.763
where: short stacking energy: -13.358
Base-Backbone interact. energy: -0.704
local terms energy: -43.489791
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -80.795951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.795951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.795951 (E_RNA)
where:
Base-Base interactions energy: -47.060
where: short stacking energy: -11.427
Base-Backbone interact. energy: -0.151
local terms energy: -33.584665
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -9.561
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -1.960
tors. eta vs tors. theta energy: 1.973
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: 176
Temperature: 1.300000
Total energy: -57.228219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.228219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.228219 (E_RNA)
where:
Base-Base interactions energy: -15.659
where: short stacking energy: -11.128
Base-Backbone interact. energy: -0.184
local terms energy: -41.384890
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -8.295
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: 10, replica: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -60.234351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.234351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.234351 (E_RNA)
where:
Base-Base interactions energy: -26.845
where: short stacking energy: -13.129
Base-Backbone interact. energy: -0.260
local terms energy: -33.129142
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -5.972
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: 3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -181.470428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.470428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.470428 (E_RNA)
where:
Base-Base interactions energy: -125.176
where: short stacking energy: -41.933
Base-Backbone interact. energy: -0.727
local terms energy: -55.567583
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -12.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -181.170191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.170191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.170191 (E_RNA)
where:
Base-Base interactions energy: -116.767
where: short stacking energy: -53.676
Base-Backbone interact. energy: -0.002
local terms energy: -64.400877
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -172.936864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.936864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.936864 (E_RNA)
where:
Base-Base interactions energy: -117.036
where: short stacking energy: -41.208
Base-Backbone interact. energy: -0.151
local terms energy: -55.749994
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -10.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -172.666804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.666804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.666804 (E_RNA)
where:
Base-Base interactions energy: -115.197
where: short stacking energy: -40.356
Base-Backbone interact. energy: -0.232
local terms energy: -57.237270
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -15.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -163.030235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.030235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.030235 (E_RNA)
where:
Base-Base interactions energy: -108.720
where: short stacking energy: -41.855
Base-Backbone interact. energy: -0.134
local terms energy: -54.176856
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -8.745
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -74.934480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.934480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.934480 (E_RNA)
where:
Base-Base interactions energy: -32.674
where: short stacking energy: -16.519
Base-Backbone interact. energy: -0.219
local terms energy: -42.042035
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: 0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -68.516861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.516861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.516861 (E_RNA)
where:
Base-Base interactions energy: -26.742
where: short stacking energy: -18.964
Base-Backbone interact. energy: -0.023
local terms energy: -41.751967
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -8.461
flat angles C4'-P-C4' energy: -6.985
flat angles P-C4'-P energy: -8.708
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: 177
Temperature: 1.250000
Total energy: -61.832411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.832411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.832411 (E_RNA)
where:
Base-Base interactions energy: -21.776
where: short stacking energy: -21.776
Base-Backbone interact. energy: -0.638
local terms energy: -39.418695
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -9.966
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: 0.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -65.495061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.495061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.495061 (E_RNA)
where:
Base-Base interactions energy: -24.522
where: short stacking energy: -21.285
Base-Backbone interact. energy: 0.522
local terms energy: -41.495237
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -10.204
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: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -61.390470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.390470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.390470 (E_RNA)
where:
Base-Base interactions energy: -25.408
where: short stacking energy: -20.186
Base-Backbone interact. energy: -0.036
local terms energy: -35.946864
where:
bonds (distance) C4'-P energy: -7.509
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -0.705
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: 178
Temperature: 0.900000
Total energy: -183.681261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.681261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.681261 (E_RNA)
where:
Base-Base interactions energy: -118.307
where: short stacking energy: -50.599
Base-Backbone interact. energy: -0.006
local terms energy: -65.368176
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -17.215
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: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -171.607314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.607314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.607314 (E_RNA)
where:
Base-Base interactions energy: -108.863
where: short stacking energy: -42.622
Base-Backbone interact. energy: -0.017
local terms energy: -62.727174
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -13.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -182.600961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.600961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.600961 (E_RNA)
where:
Base-Base interactions energy: -118.282
where: short stacking energy: -46.704
Base-Backbone interact. energy: -1.059
local terms energy: -63.260682
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -17.083
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: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -171.869048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.869048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.869048 (E_RNA)
where:
Base-Base interactions energy: -111.283
where: short stacking energy: -42.088
Base-Backbone interact. energy: 0.744
local terms energy: -61.329965
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -9.599
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: 5, replica: 9
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -161.963955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.963955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.963955 (E_RNA)
where:
Base-Base interactions energy: -106.295
where: short stacking energy: -39.431
Base-Backbone interact. energy: -0.139
local terms energy: -55.529614
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: -13.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -76.012493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.012493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.012493 (E_RNA)
where:
Base-Base interactions energy: -32.333
where: short stacking energy: -17.137
Base-Backbone interact. energy: -0.024
local terms energy: -43.655681
where:
bonds (distance) C4'-P energy: -8.726
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -6.081
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: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -71.588331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.588331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.588331 (E_RNA)
where:
Base-Base interactions energy: -27.892
where: short stacking energy: -20.097
Base-Backbone interact. energy: -0.880
local terms energy: -42.816345
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -9.273
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -3.635
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: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -63.274324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.274324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.274324 (E_RNA)
where:
Base-Base interactions energy: -14.720
where: short stacking energy: -14.720
Base-Backbone interact. energy: -0.242
local terms energy: -48.311801
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -67.238204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.238204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.238204 (E_RNA)
where:
Base-Base interactions energy: -24.081
where: short stacking energy: -16.426
Base-Backbone interact. energy: -0.400
local terms energy: -42.757602
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -3.984
tors. eta vs tors. theta energy: -3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -77.837494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.837494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.837494 (E_RNA)
where:
Base-Base interactions energy: -30.412
where: short stacking energy: -12.777
Base-Backbone interact. energy: -0.105
local terms energy: -47.320979
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -177.061344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.061344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.061344 (E_RNA)
where:
Base-Base interactions energy: -117.811
where: short stacking energy: -44.963
Base-Backbone interact. energy: -0.003
local terms energy: -59.246797
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -176.256921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.256921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.256921 (E_RNA)
where:
Base-Base interactions energy: -114.460
where: short stacking energy: -43.626
Base-Backbone interact. energy: -0.006
local terms energy: -61.791411
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -9.244
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: 3, replica: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -178.993070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.993070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.993070 (E_RNA)
where:
Base-Base interactions energy: -112.721
where: short stacking energy: -40.155
Base-Backbone interact. energy: -0.953
local terms energy: -65.319318
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -168.837677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.837677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.837677 (E_RNA)
where:
Base-Base interactions energy: -111.377
where: short stacking energy: -37.027
Base-Backbone interact. energy: -0.148
local terms energy: -57.312338
where:
bonds (distance) C4'-P energy: -8.350
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -148.391225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.391225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.391225 (E_RNA)
where:
Base-Base interactions energy: -97.245
where: short stacking energy: -39.441
Base-Backbone interact. energy: -0.006
local terms energy: -51.139832
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -12.271
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: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -96.528654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.528654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.528654 (E_RNA)
where:
Base-Base interactions energy: -53.817
where: short stacking energy: -16.218
Base-Backbone interact. energy: -0.569
local terms energy: -42.142422
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: 2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -66.150496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.150496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.150496 (E_RNA)
where:
Base-Base interactions energy: -17.340
where: short stacking energy: -14.220
Base-Backbone interact. energy: -0.337
local terms energy: -48.473498
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -6.911
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: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -69.013130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.013130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.013130 (E_RNA)
where:
Base-Base interactions energy: -26.509
where: short stacking energy: -15.056
Base-Backbone interact. energy: -0.489
local terms energy: -42.014833
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: 0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -63.984925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.984925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.984925 (E_RNA)
where:
Base-Base interactions energy: -35.640
where: short stacking energy: -20.030
Base-Backbone interact. energy: -0.197
local terms energy: -28.147519
where:
bonds (distance) C4'-P energy: -9.030
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -6.659
flat angles P-C4'-P energy: -0.129
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: 10, replica: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -65.505515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.505515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.505515 (E_RNA)
where:
Base-Base interactions energy: -27.394
where: short stacking energy: -9.662
Base-Backbone interact. energy: -0.370
local terms energy: -37.740839
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -13.220
flat angles C4'-P-C4' energy: -8.823
flat angles P-C4'-P energy: -6.620
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: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -180.279650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.279650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.279650 (E_RNA)
where:
Base-Base interactions energy: -116.950
where: short stacking energy: -47.652
Base-Backbone interact. energy: -0.002
local terms energy: -63.327256
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -179.062858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.062858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.062858 (E_RNA)
where:
Base-Base interactions energy: -118.003
where: short stacking energy: -50.634
Base-Backbone interact. energy: -0.007
local terms energy: -61.052372
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -16.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -175.259367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.259367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.259367 (E_RNA)
where:
Base-Base interactions energy: -112.567
where: short stacking energy: -40.070
Base-Backbone interact. energy: -0.158
local terms energy: -62.533555
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -13.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -170.921046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.921046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.921046 (E_RNA)
where:
Base-Base interactions energy: -110.302
where: short stacking energy: -44.083
Base-Backbone interact. energy: -0.025
local terms energy: -60.594274
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -14.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -128.105589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.105589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.105589 (E_RNA)
where:
Base-Base interactions energy: -91.561
where: short stacking energy: -27.767
Base-Backbone interact. energy: -0.178
local terms energy: -36.366541
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -8.753
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -2.834
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -86.153413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.153413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.153413 (E_RNA)
where:
Base-Base interactions energy: -40.574
where: short stacking energy: -25.076
Base-Backbone interact. energy: -0.041
local terms energy: -45.538702
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -8.053
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -1.889
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: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -81.148551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.148551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.148551 (E_RNA)
where:
Base-Base interactions energy: -35.445
where: short stacking energy: -18.129
Base-Backbone interact. energy: -1.101
local terms energy: -44.603311
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -9.844
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -62.346758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.346758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.346758 (E_RNA)
where:
Base-Base interactions energy: -22.896
where: short stacking energy: -18.311
Base-Backbone interact. energy: -0.166
local terms energy: -39.285186
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -7.093
flat angles P-C4'-P energy: -8.240
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: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -73.367877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.367877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.367877 (E_RNA)
where:
Base-Base interactions energy: -34.740
where: short stacking energy: -24.356
Base-Backbone interact. energy: -0.437
local terms energy: -38.190264
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -7.507
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -56.398360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.398360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.398360 (E_RNA)
where:
Base-Base interactions energy: -17.157
where: short stacking energy: -16.952
Base-Backbone interact. energy: -0.107
local terms energy: -39.134057
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: 1.769
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: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -179.116655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.116655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.116655 (E_RNA)
where:
Base-Base interactions energy: -114.749
where: short stacking energy: -46.710
Base-Backbone interact. energy: -0.003
local terms energy: -64.365214
where:
bonds (distance) C4'-P energy: -10.911
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -10.445
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: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -169.621855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.621855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.621855 (E_RNA)
where:
Base-Base interactions energy: -107.566
where: short stacking energy: -41.853
Base-Backbone interact. energy: -0.816
local terms energy: -61.239547
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -7.949
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: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -177.604582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.604582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.604582 (E_RNA)
where:
Base-Base interactions energy: -113.421
where: short stacking energy: -40.381
Base-Backbone interact. energy: -0.198
local terms energy: -63.985672
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -165.260738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.260738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.260738 (E_RNA)
where:
Base-Base interactions energy: -113.700
where: short stacking energy: -40.402
Base-Backbone interact. energy: -0.024
local terms energy: -51.536725
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -3.809
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -15.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -86.210332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.210332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.210332 (E_RNA)
where:
Base-Base interactions energy: -38.279
where: short stacking energy: -20.660
Base-Backbone interact. energy: 0.389
local terms energy: -48.319504
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -97.631418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.631418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.631418 (E_RNA)
where:
Base-Base interactions energy: -64.756
where: short stacking energy: -20.659
Base-Backbone interact. energy: 0.161
local terms energy: -33.036100
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -5.293
flat angles P-C4'-P energy: -7.026
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: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -79.201744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.201744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.201744 (E_RNA)
where:
Base-Base interactions energy: -42.345
where: short stacking energy: -14.073
Base-Backbone interact. energy: -0.577
local terms energy: -36.279294
where:
bonds (distance) C4'-P energy: -8.052
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -7.261
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: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -65.116236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.116236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.116236 (E_RNA)
where:
Base-Base interactions energy: -29.944
where: short stacking energy: -11.953
Base-Backbone interact. energy: -0.036
local terms energy: -35.136230
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -8.788
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: 0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -58.868007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.868007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.868007 (E_RNA)
where:
Base-Base interactions energy: -27.248
where: short stacking energy: -6.879
Base-Backbone interact. energy: -0.282
local terms energy: -31.337993
where:
bonds (distance) C4'-P energy: -7.836
bonds (distance) P-C4' energy: -8.383
flat angles C4'-P-C4' energy: -7.096
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -60.232280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.232280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.232280 (E_RNA)
where:
Base-Base interactions energy: -26.033
where: short stacking energy: -16.658
Base-Backbone interact. energy: 2.264
local terms energy: -36.464082
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: 1.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -183.911338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.911338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.911338 (E_RNA)
where:
Base-Base interactions energy: -119.896
where: short stacking energy: -46.395
Base-Backbone interact. energy: -0.004
local terms energy: -64.011075
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -178.325961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.325961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.325961 (E_RNA)
where:
Base-Base interactions energy: -121.915
where: short stacking energy: -39.652
Base-Backbone interact. energy: -0.042
local terms energy: -56.368894
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -163.983751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.983751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.983751 (E_RNA)
where:
Base-Base interactions energy: -107.822
where: short stacking energy: -45.895
Base-Backbone interact. energy: -0.087
local terms energy: -56.074789
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -8.955
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -13.343
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: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -176.386399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.386399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.386399 (E_RNA)
where:
Base-Base interactions energy: -118.609
where: short stacking energy: -46.366
Base-Backbone interact. energy: -0.001
local terms energy: -57.776260
where:
bonds (distance) C4'-P energy: -7.752
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -8.759
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: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -106.713637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.713637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.713637 (E_RNA)
where:
Base-Base interactions energy: -58.434
where: short stacking energy: -29.532
Base-Backbone interact. energy: -0.673
local terms energy: -47.606475
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -7.715
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -77.625184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.625184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.625184 (E_RNA)
where:
Base-Base interactions energy: -37.863
where: short stacking energy: -16.952
Base-Backbone interact. energy: -0.187
local terms energy: -39.575403
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -4.965
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: 7, replica: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -67.154106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.154106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.154106 (E_RNA)
where:
Base-Base interactions energy: -21.676
where: short stacking energy: -8.287
Base-Backbone interact. energy: -2.223
local terms energy: -43.255239
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -10.533
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -60.992633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.992633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.992633 (E_RNA)
where:
Base-Base interactions energy: -21.069
where: short stacking energy: -18.082
Base-Backbone interact. energy: 0.743
local terms energy: -40.666415
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: 0.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -64.547975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.547975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.547975 (E_RNA)
where:
Base-Base interactions energy: -19.260
where: short stacking energy: -15.474
Base-Backbone interact. energy: -0.028
local terms energy: -45.260637
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -69.354154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.354154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.354154 (E_RNA)
where:
Base-Base interactions energy: -40.703
where: short stacking energy: -14.481
Base-Backbone interact. energy: -0.201
local terms energy: -28.450038
where:
bonds (distance) C4'-P energy: -4.993
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -6.473
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: 2.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -184.966769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.966769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.966769 (E_RNA)
where:
Base-Base interactions energy: -122.768
where: short stacking energy: -53.992
Base-Backbone interact. energy: -0.022
local terms energy: -62.176610
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -170.601900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.601900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.601900 (E_RNA)
where:
Base-Base interactions energy: -113.585
where: short stacking energy: -38.178
Base-Backbone interact. energy: -0.216
local terms energy: -56.800975
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -11.519
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: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -178.401599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.401599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.401599 (E_RNA)
where:
Base-Base interactions energy: -119.562
where: short stacking energy: -43.445
Base-Backbone interact. energy: -0.264
local terms energy: -58.575498
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -12.944
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: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -116.825106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.825106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.825106 (E_RNA)
where:
Base-Base interactions energy: -68.647
where: short stacking energy: -28.690
Base-Backbone interact. energy: 0.983
local terms energy: -49.161407
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -9.056
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -10.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -165.904498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.904498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.904498 (E_RNA)
where:
Base-Base interactions energy: -106.579
where: short stacking energy: -43.570
Base-Backbone interact. energy: -0.002
local terms energy: -59.323377
where:
bonds (distance) C4'-P energy: -9.467
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -98.012582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.012582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.012582 (E_RNA)
where:
Base-Base interactions energy: -54.417
where: short stacking energy: -22.072
Base-Backbone interact. energy: -0.164
local terms energy: -43.431797
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -1.933
tors. eta vs tors. theta energy: -2.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -67.110274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.110274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.110274 (E_RNA)
where:
Base-Base interactions energy: -23.749
where: short stacking energy: -7.803
Base-Backbone interact. energy: -0.158
local terms energy: -43.203765
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -0.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -69.980689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.980689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.980689 (E_RNA)
where:
Base-Base interactions energy: -27.677
where: short stacking energy: -18.323
Base-Backbone interact. energy: -0.061
local terms energy: -42.241869
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -9.134
flat angles P-C4'-P energy: -8.182
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: 9, replica: 3
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -56.804837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.804837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.804837 (E_RNA)
where:
Base-Base interactions energy: -15.735
where: short stacking energy: -15.735
Base-Backbone interact. energy: -0.069
local terms energy: -41.000876
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -1.977
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: 10, replica: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -69.624617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.624617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.624617 (E_RNA)
where:
Base-Base interactions energy: -27.899
where: short stacking energy: -23.760
Base-Backbone interact. energy: -0.286
local terms energy: -41.439512
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -5.859
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -8.546
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: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -179.960420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.960420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.960420 (E_RNA)
where:
Base-Base interactions energy: -108.692
where: short stacking energy: -40.975
Base-Backbone interact. energy: -0.001
local terms energy: -71.267093
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -11.502
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: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -180.699323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.699323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.699323 (E_RNA)
where:
Base-Base interactions energy: -112.173
where: short stacking energy: -49.798
Base-Backbone interact. energy: -0.303
local terms energy: -68.223696
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -9.289
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: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -169.938699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.938699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.938699 (E_RNA)
where:
Base-Base interactions energy: -109.966
where: short stacking energy: -42.268
Base-Backbone interact. energy: -0.743
local terms energy: -59.229705
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -9.277
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -9.740
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: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -112.478854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.478854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.478854 (E_RNA)
where:
Base-Base interactions energy: -62.493
where: short stacking energy: -16.218
Base-Backbone interact. energy: -0.312
local terms energy: -49.674092
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -6.298
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: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -169.286780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.286780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.286780 (E_RNA)
where:
Base-Base interactions energy: -109.804
where: short stacking energy: -39.238
Base-Backbone interact. energy: -0.429
local terms energy: -59.053281
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -7.632
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -81.765716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.765716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.765716 (E_RNA)
where:
Base-Base interactions energy: -39.264
where: short stacking energy: -15.507
Base-Backbone interact. energy: -0.028
local terms energy: -42.472884
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: 0.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -74.423717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.423717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.423717 (E_RNA)
where:
Base-Base interactions energy: -29.135
where: short stacking energy: -25.499
Base-Backbone interact. energy: -0.303
local terms energy: -44.985627
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -9.897
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -63.540328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.540328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.540328 (E_RNA)
where:
Base-Base interactions energy: -22.082
where: short stacking energy: -18.286
Base-Backbone interact. energy: -1.054
local terms energy: -40.404224
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -9.649
flat angles P-C4'-P energy: -3.528
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: 9, replica: 10
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -66.127752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.127752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.127752 (E_RNA)
where:
Base-Base interactions energy: -34.152
where: short stacking energy: -11.571
Base-Backbone interact. energy: -0.347
local terms energy: -31.629251
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -3.673
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: 10, replica: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -67.179628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.179628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.179628 (E_RNA)
where:
Base-Base interactions energy: -20.292
where: short stacking energy: -19.136
Base-Backbone interact. energy: -0.106
local terms energy: -46.781550
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -6.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -185.797833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.797833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.797833 (E_RNA)
where:
Base-Base interactions energy: -119.108
where: short stacking energy: -49.963
Base-Backbone interact. energy: -0.059
local terms energy: -66.631001
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -9.702
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -10.495
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: 2, replica: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -174.594151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.594151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.594151 (E_RNA)
where:
Base-Base interactions energy: -114.584
where: short stacking energy: -40.672
Base-Backbone interact. energy: -0.056
local terms energy: -59.954396
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -10.663
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: 3, replica: 7
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -174.298882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.298882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.298882 (E_RNA)
where:
Base-Base interactions energy: -115.097
where: short stacking energy: -46.795
Base-Backbone interact. energy: -0.002
local terms energy: -59.199752
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -4.490
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: 4, replica: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -175.586356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.586356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.586356 (E_RNA)
where:
Base-Base interactions energy: -111.103
where: short stacking energy: -45.127
Base-Backbone interact. energy: -0.005
local terms energy: -64.477911
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -17.754
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: 5, replica: 6
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -100.235781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.235781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.235781 (E_RNA)
where:
Base-Base interactions energy: -50.012
where: short stacking energy: -25.711
Base-Backbone interact. energy: -0.552
local terms energy: -49.671907
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -10.194
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -8.560
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: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -71.655325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.655325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.655325 (E_RNA)
where:
Base-Base interactions energy: -27.852
where: short stacking energy: -16.949
Base-Backbone interact. energy: -0.398
local terms energy: -43.405712
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -9.850
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -6.151
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: 7, replica: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -73.668263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.668263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.668263 (E_RNA)
where:
Base-Base interactions energy: -26.368
where: short stacking energy: -22.601
Base-Backbone interact. energy: -0.145
local terms energy: -47.154657
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -76.488795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.488795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.488795 (E_RNA)
where:
Base-Base interactions energy: -40.461
where: short stacking energy: -12.639
Base-Backbone interact. energy: -0.383
local terms energy: -35.644729
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -8.696
flat angles C4'-P-C4' energy: -7.510
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -92.451798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.451798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.451798 (E_RNA)
where:
Base-Base interactions energy: -52.919
where: short stacking energy: -20.146
Base-Backbone interact. energy: -0.962
local terms energy: -38.570879
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -7.004
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -1.710
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: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -67.736534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.736534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.736534 (E_RNA)
where:
Base-Base interactions energy: -23.452
where: short stacking energy: -17.989
Base-Backbone interact. energy: -0.015
local terms energy: -44.270403
where:
bonds (distance) C4'-P energy: -6.275
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -181.927443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.927443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.927443 (E_RNA)
where:
Base-Base interactions energy: -119.672
where: short stacking energy: -46.295
Base-Backbone interact. energy: -0.034
local terms energy: -62.221643
where:
bonds (distance) C4'-P energy: -8.577
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -185.163169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.163169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.163169 (E_RNA)
where:
Base-Base interactions energy: -121.964
where: short stacking energy: -49.041
Base-Backbone interact. energy: -0.003
local terms energy: -63.196419
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -172.090475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.090475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.090475 (E_RNA)
where:
Base-Base interactions energy: -111.577
where: short stacking energy: -41.526
Base-Backbone interact. energy: -0.119
local terms energy: -60.394984
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -9.633
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: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -168.580581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.580581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.580581 (E_RNA)
where:
Base-Base interactions energy: -108.355
where: short stacking energy: -41.746
Base-Backbone interact. energy: -0.023
local terms energy: -60.202837
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -10.513
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -115.121673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.121673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.121673 (E_RNA)
where:
Base-Base interactions energy: -64.194
where: short stacking energy: -24.906
Base-Backbone interact. energy: -0.034
local terms energy: -50.894195
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -9.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -65.609235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.609235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.609235 (E_RNA)
where:
Base-Base interactions energy: -23.301
where: short stacking energy: -12.952
Base-Backbone interact. energy: -0.243
local terms energy: -42.065151
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -7.835
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: 7, replica: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -73.454947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.454947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.454947 (E_RNA)
where:
Base-Base interactions energy: -40.090
where: short stacking energy: -11.842
Base-Backbone interact. energy: -0.423
local terms energy: -32.942257
where:
bonds (distance) C4'-P energy: -3.549
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: 3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -63.195530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.195530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.195530 (E_RNA)
where:
Base-Base interactions energy: -24.565
where: short stacking energy: -18.305
Base-Backbone interact. energy: 0.458
local terms energy: -39.088469
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: 2.558
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: 10
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -67.846137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.846137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.846137 (E_RNA)
where:
Base-Base interactions energy: -32.643
where: short stacking energy: -14.509
Base-Backbone interact. energy: 0.263
local terms energy: -35.466685
where:
bonds (distance) C4'-P energy: -7.442
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -9.727
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: 3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -61.912803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.912803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.912803 (E_RNA)
where:
Base-Base interactions energy: -25.028
where: short stacking energy: -25.028
Base-Backbone interact. energy: -0.109
local terms energy: -36.775623
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -9.493
flat angles C4'-P-C4' energy: -7.612
flat angles P-C4'-P energy: -3.419
tors. eta vs tors. theta energy: -6.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -182.322635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.322635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.322635 (E_RNA)
where:
Base-Base interactions energy: -118.077
where: short stacking energy: -45.987
Base-Backbone interact. energy: -0.156
local terms energy: -64.089524
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -11.442
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: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -176.880074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.880074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.880074 (E_RNA)
where:
Base-Base interactions energy: -115.338
where: short stacking energy: -47.530
Base-Backbone interact. energy: -0.003
local terms energy: -61.539522
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -173.590770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.590770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.590770 (E_RNA)
where:
Base-Base interactions energy: -112.325
where: short stacking energy: -43.011
Base-Backbone interact. energy: -0.061
local terms energy: -61.204659
where:
bonds (distance) C4'-P energy: -10.026
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -8.744
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: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -172.860736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.860736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.860736 (E_RNA)
where:
Base-Base interactions energy: -111.723
where: short stacking energy: -48.591
Base-Backbone interact. energy: -0.019
local terms energy: -61.119190
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: -17.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -71.100233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.100233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.100233 (E_RNA)
where:
Base-Base interactions energy: -22.431
where: short stacking energy: -14.961
Base-Backbone interact. energy: -0.018
local terms energy: -48.651678
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -6.844
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -73.233026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.233026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.233026 (E_RNA)
where:
Base-Base interactions energy: -32.442
where: short stacking energy: -14.977
Base-Backbone interact. energy: 0.642
local terms energy: -41.433094
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -6.877
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -68.235730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.235730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.235730 (E_RNA)
where:
Base-Base interactions energy: -26.495
where: short stacking energy: -19.403
Base-Backbone interact. energy: -0.109
local terms energy: -41.631797
where:
bonds (distance) C4'-P energy: -8.708
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -7.759
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: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -66.338114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.338114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.338114 (E_RNA)
where:
Base-Base interactions energy: -32.404
where: short stacking energy: -20.513
Base-Backbone interact. energy: 0.394
local terms energy: -34.328024
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -10.600
flat angles C4'-P-C4' energy: -5.940
flat angles P-C4'-P energy: -4.092
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: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -66.717263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.717263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.717263 (E_RNA)
where:
Base-Base interactions energy: -29.993
where: short stacking energy: -12.930
Base-Backbone interact. energy: -0.807
local terms energy: -35.917263
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -6.583
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: 1.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -60.153162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.153162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.153162 (E_RNA)
where:
Base-Base interactions energy: -18.162
where: short stacking energy: -9.126
Base-Backbone interact. energy: -0.187
local terms energy: -41.804153
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -9.925
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: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -179.135543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.135543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.135543 (E_RNA)
where:
Base-Base interactions energy: -112.951
where: short stacking energy: -47.315
Base-Backbone interact. energy: -0.148
local terms energy: -66.035871
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -9.420
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: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -177.007224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.007224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.007224 (E_RNA)
where:
Base-Base interactions energy: -115.283
where: short stacking energy: -44.742
Base-Backbone interact. energy: -0.003
local terms energy: -61.720414
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -16.310
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: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -173.664447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.664447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.664447 (E_RNA)
where:
Base-Base interactions energy: -107.133
where: short stacking energy: -41.207
Base-Backbone interact. energy: -0.657
local terms energy: -65.874820
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -164.411031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.411031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.411031 (E_RNA)
where:
Base-Base interactions energy: -109.600
where: short stacking energy: -46.087
Base-Backbone interact. energy: -0.478
local terms energy: -54.332069
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -4.232
tors. eta vs tors. theta energy: -14.531
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: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -77.911031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.911031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.911031 (E_RNA)
where:
Base-Base interactions energy: -28.419
where: short stacking energy: -28.419
Base-Backbone interact. energy: -0.065
local terms energy: -49.426928
where:
bonds (distance) C4'-P energy: -7.980
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -7.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -94.864105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.864105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.864105 (E_RNA)
where:
Base-Base interactions energy: -47.187
where: short stacking energy: -17.668
Base-Backbone interact. energy: -0.111
local terms energy: -47.566183
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -9.825
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -75.161449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.161449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.161449 (E_RNA)
where:
Base-Base interactions energy: -26.869
where: short stacking energy: -18.621
Base-Backbone interact. energy: -0.206
local terms energy: -48.086117
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -8.262
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: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -62.619832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.619832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.619832 (E_RNA)
where:
Base-Base interactions energy: -18.450
where: short stacking energy: -18.450
Base-Backbone interact. energy: -0.035
local terms energy: -44.134763
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -8.511
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -70.140410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.140410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.140410 (E_RNA)
where:
Base-Base interactions energy: -33.961
where: short stacking energy: -7.293
Base-Backbone interact. energy: -0.088
local terms energy: -36.090877
where:
bonds (distance) C4'-P energy: -7.993
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -59.764323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.764323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.764323 (E_RNA)
where:
Base-Base interactions energy: -16.050
where: short stacking energy: -16.050
Base-Backbone interact. energy: -0.339
local terms energy: -43.375344
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -180.009749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.009749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.009749 (E_RNA)
where:
Base-Base interactions energy: -118.070
where: short stacking energy: -46.958
Base-Backbone interact. energy: -0.004
local terms energy: -61.935569
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -9.639
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: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -181.248926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.248926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.248926 (E_RNA)
where:
Base-Base interactions energy: -114.515
where: short stacking energy: -48.006
Base-Backbone interact. energy: -0.724
local terms energy: -66.009811
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -10.107
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: 3, replica: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -172.840106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.840106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.840106 (E_RNA)
where:
Base-Base interactions energy: -107.484
where: short stacking energy: -38.827
Base-Backbone interact. energy: -0.681
local terms energy: -64.674819
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -8.832
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: 4, replica: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -163.014749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.014749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.014749 (E_RNA)
where:
Base-Base interactions energy: -104.559
where: short stacking energy: -42.565
Base-Backbone interact. energy: -0.021
local terms energy: -58.434699
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -8.655
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -16.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -83.481151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.481151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.481151 (E_RNA)
where:
Base-Base interactions energy: -33.488
where: short stacking energy: -25.746
Base-Backbone interact. energy: -0.091
local terms energy: -49.902148
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -7.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -158.530827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.530827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.530827 (E_RNA)
where:
Base-Base interactions energy: -100.888
where: short stacking energy: -39.624
Base-Backbone interact. energy: -0.035
local terms energy: -57.607359
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -7.804
flat angles P-C4'-P energy: -7.457
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: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -82.148501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.148501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.148501 (E_RNA)
where:
Base-Base interactions energy: -42.472
where: short stacking energy: -21.817
Base-Backbone interact. energy: -0.367
local terms energy: -39.309030
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -7.949
flat angles P-C4'-P energy: -2.175
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: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -65.608063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.608063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.608063 (E_RNA)
where:
Base-Base interactions energy: -24.049
where: short stacking energy: -17.849
Base-Backbone interact. energy: 2.506
local terms energy: -44.065845
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -1.935
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: 9, replica: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -68.884413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.884413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.884413 (E_RNA)
where:
Base-Base interactions energy: -31.454
where: short stacking energy: -21.793
Base-Backbone interact. energy: 0.160
local terms energy: -37.590550
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -10.188
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -5.354
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: 10, replica: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -71.689761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.689761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.689761 (E_RNA)
where:
Base-Base interactions energy: -28.086
where: short stacking energy: -22.447
Base-Backbone interact. energy: -1.436
local terms energy: -42.168307
where:
bonds (distance) C4'-P energy: -7.006
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -184.791097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.791097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.791097 (E_RNA)
where:
Base-Base interactions energy: -124.367
where: short stacking energy: -52.832
Base-Backbone interact. energy: -0.000
local terms energy: -60.424055
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -9.861
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -179.194009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.194009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.194009 (E_RNA)
where:
Base-Base interactions energy: -120.737
where: short stacking energy: -53.109
Base-Backbone interact. energy: -0.011
local terms energy: -58.445384
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -8.723
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -8.533
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: 3, replica: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -173.547728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.547728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.547728 (E_RNA)
where:
Base-Base interactions energy: -114.497
where: short stacking energy: -48.109
Base-Backbone interact. energy: -0.001
local terms energy: -59.049185
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -16.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -173.338135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.338135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.338135 (E_RNA)
where:
Base-Base interactions energy: -111.666
where: short stacking energy: -45.419
Base-Backbone interact. energy: -0.726
local terms energy: -60.946729
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -10.824
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -8.410
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: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -170.704314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.704314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.704314 (E_RNA)
where:
Base-Base interactions energy: -112.646
where: short stacking energy: -44.592
Base-Backbone interact. energy: 0.763
local terms energy: -58.821698
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -5.861
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: 190
Temperature: 1.150000
Total energy: -67.726607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.726607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.726607 (E_RNA)
where:
Base-Base interactions energy: -31.591
where: short stacking energy: -19.909
Base-Backbone interact. energy: -0.044
local terms energy: -36.091195
where:
bonds (distance) C4'-P energy: -8.469
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -7.589
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: 1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -67.473180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.473180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.473180 (E_RNA)
where:
Base-Base interactions energy: -25.070
where: short stacking energy: -18.299
Base-Backbone interact. energy: -0.054
local terms energy: -42.349432
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -10.081
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -0.493
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: 190
Temperature: 1.250000
Total energy: -58.436040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.436040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.436040 (E_RNA)
where:
Base-Base interactions energy: -24.886
where: short stacking energy: -16.841
Base-Backbone interact. energy: -0.632
local terms energy: -32.917848
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -0.707
tors. eta vs tors. theta energy: 3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -60.966173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.966173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.966173 (E_RNA)
where:
Base-Base interactions energy: -19.845
where: short stacking energy: -9.988
Base-Backbone interact. energy: -1.224
local terms energy: -39.896275
where:
bonds (distance) C4'-P energy: -7.567
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -4.050
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: 10, replica: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -55.666552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.666552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.666552 (E_RNA)
where:
Base-Base interactions energy: -16.410
where: short stacking energy: -13.126
Base-Backbone interact. energy: -1.245
local terms energy: -38.010693
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -4.465
flat angles P-C4'-P energy: -6.790
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: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -182.173888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.173888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.173888 (E_RNA)
where:
Base-Base interactions energy: -122.430
where: short stacking energy: -38.020
Base-Backbone interact. energy: -0.151
local terms energy: -59.593090
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -11.410
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -14.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -180.018552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.018552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.018552 (E_RNA)
where:
Base-Base interactions energy: -119.176
where: short stacking energy: -48.490
Base-Backbone interact. energy: -0.037
local terms energy: -60.806095
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -4.747
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -171.576222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.576222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.576222 (E_RNA)
where:
Base-Base interactions energy: -109.246
where: short stacking energy: -41.960
Base-Backbone interact. energy: 0.057
local terms energy: -62.386827
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -9.364
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: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -171.970260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.970260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.970260 (E_RNA)
where:
Base-Base interactions energy: -117.681
where: short stacking energy: -41.891
Base-Backbone interact. energy: -0.043
local terms energy: -54.247039
where:
bonds (distance) C4'-P energy: -7.055
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -8.997
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -152.812857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.812857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.812857 (E_RNA)
where:
Base-Base interactions energy: -100.237
where: short stacking energy: -38.613
Base-Backbone interact. energy: -0.119
local terms energy: -52.456472
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -9.210
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -71.765605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.765605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.765605 (E_RNA)
where:
Base-Base interactions energy: -28.507
where: short stacking energy: -25.152
Base-Backbone interact. energy: 0.532
local terms energy: -43.790725
where:
bonds (distance) C4'-P energy: -8.742
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -8.199
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -5.321
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: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -62.691050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.691050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.691050 (E_RNA)
where:
Base-Base interactions energy: -25.618
where: short stacking energy: -5.377
Base-Backbone interact. energy: -0.197
local terms energy: -36.876369
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -4.952
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: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -66.339201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.339201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.339201 (E_RNA)
where:
Base-Base interactions energy: -29.127
where: short stacking energy: -12.337
Base-Backbone interact. energy: -0.119
local terms energy: -37.093279
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -5.454
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: 9, replica: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -55.206640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.206640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.206640 (E_RNA)
where:
Base-Base interactions energy: -18.305
where: short stacking energy: -12.032
Base-Backbone interact. energy: -0.151
local terms energy: -36.751247
where:
bonds (distance) C4'-P energy: -8.581
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: 4.203
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: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -67.523768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.523768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.523768 (E_RNA)
where:
Base-Base interactions energy: -21.546
where: short stacking energy: -18.147
Base-Backbone interact. energy: -0.220
local terms energy: -45.757797
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -8.058
flat angles P-C4'-P energy: -9.406
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: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -184.950600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.950600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.950600 (E_RNA)
where:
Base-Base interactions energy: -120.272
where: short stacking energy: -47.331
Base-Backbone interact. energy: -0.560
local terms energy: -64.118533
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -174.428616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.428616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.428616 (E_RNA)
where:
Base-Base interactions energy: -113.164
where: short stacking energy: -52.343
Base-Backbone interact. energy: -0.029
local terms energy: -61.235082
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -7.046
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -175.461329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.461329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.461329 (E_RNA)
where:
Base-Base interactions energy: -112.738
where: short stacking energy: -43.839
Base-Backbone interact. energy: -0.019
local terms energy: -62.704640
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -11.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -162.681432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.681432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.681432 (E_RNA)
where:
Base-Base interactions energy: -113.342
where: short stacking energy: -39.590
Base-Backbone interact. energy: 0.356
local terms energy: -49.695549
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -6.395
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -10.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -169.401757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.401757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.401757 (E_RNA)
where:
Base-Base interactions energy: -109.948
where: short stacking energy: -39.515
Base-Backbone interact. energy: -0.503
local terms energy: -58.951541
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -9.129
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: 6, replica: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -83.059160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.059160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.059160 (E_RNA)
where:
Base-Base interactions energy: -34.960
where: short stacking energy: -23.375
Base-Backbone interact. energy: -0.026
local terms energy: -48.073360
where:
bonds (distance) C4'-P energy: -7.210
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -8.812
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: 7, replica: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -66.576301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.576301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.576301 (E_RNA)
where:
Base-Base interactions energy: -24.302
where: short stacking energy: -24.302
Base-Backbone interact. energy: -0.002
local terms energy: -42.272294
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -2.850
tors. eta vs tors. theta energy: -2.611
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: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -59.762346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.762346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.762346 (E_RNA)
where:
Base-Base interactions energy: -16.785
where: short stacking energy: -9.004
Base-Backbone interact. energy: -0.137
local terms energy: -42.840668
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -9.182
flat angles P-C4'-P energy: -8.634
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: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -64.505167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.505167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.505167 (E_RNA)
where:
Base-Base interactions energy: -21.178
where: short stacking energy: -13.423
Base-Backbone interact. energy: 1.286
local terms energy: -44.613231
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -7.897
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -65.761155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.761155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.761155 (E_RNA)
where:
Base-Base interactions energy: -25.091
where: short stacking energy: -11.227
Base-Backbone interact. energy: 2.661
local terms energy: -43.331026
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -181.657618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.657618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.657618 (E_RNA)
where:
Base-Base interactions energy: -119.471
where: short stacking energy: -39.970
Base-Backbone interact. energy: -1.032
local terms energy: -61.154326
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -11.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -181.782066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.782066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.782066 (E_RNA)
where:
Base-Base interactions energy: -116.114
where: short stacking energy: -45.950
Base-Backbone interact. energy: -0.040
local terms energy: -65.628747
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -17.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -176.587433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.587433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.587433 (E_RNA)
where:
Base-Base interactions energy: -116.869
where: short stacking energy: -47.808
Base-Backbone interact. energy: -0.255
local terms energy: -59.463505
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -17.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -172.201885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.201885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.201885 (E_RNA)
where:
Base-Base interactions energy: -113.529
where: short stacking energy: -41.694
Base-Backbone interact. energy: -0.030
local terms energy: -58.643025
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -9.583
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: 5, replica: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -171.475295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.475295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.475295 (E_RNA)
where:
Base-Base interactions energy: -108.189
where: short stacking energy: -44.239
Base-Backbone interact. energy: -0.718
local terms energy: -62.569009
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -14.911
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: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -68.504067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.504067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.504067 (E_RNA)
where:
Base-Base interactions energy: -22.882
where: short stacking energy: -20.260
Base-Backbone interact. energy: -0.220
local terms energy: -45.402163
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -5.599
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: 7, replica: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -80.299237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.299237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.299237 (E_RNA)
where:
Base-Base interactions energy: -32.090
where: short stacking energy: -22.936
Base-Backbone interact. energy: -0.157
local terms energy: -48.052448
where:
bonds (distance) C4'-P energy: -9.488
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -8.259
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -8.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -69.220713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.220713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.220713 (E_RNA)
where:
Base-Base interactions energy: -24.330
where: short stacking energy: -12.502
Base-Backbone interact. energy: 0.143
local terms energy: -45.033230
where:
bonds (distance) C4'-P energy: -7.724
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -9.707
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -6.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -62.596622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.596622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.596622 (E_RNA)
where:
Base-Base interactions energy: -32.372
where: short stacking energy: -21.790
Base-Backbone interact. energy: 2.669
local terms energy: -32.893726
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -5.437
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: 3.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -62.815550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.815550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.815550 (E_RNA)
where:
Base-Base interactions energy: -23.438
where: short stacking energy: -13.108
Base-Backbone interact. energy: -0.226
local terms energy: -39.151090
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -6.350
flat angles P-C4'-P energy: -10.325
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: 194
Temperature: 0.900000
Total energy: -181.929261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.929261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.929261 (E_RNA)
where:
Base-Base interactions energy: -116.051
where: short stacking energy: -47.454
Base-Backbone interact. energy: -0.022
local terms energy: -65.856529
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -10.539
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: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -167.374823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.374823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.374823 (E_RNA)
where:
Base-Base interactions energy: -103.375
where: short stacking energy: -41.628
Base-Backbone interact. energy: -0.059
local terms energy: -63.940681
where:
bonds (distance) C4'-P energy: -13.516
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -8.189
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: 3, replica: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -169.515292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.515292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.515292 (E_RNA)
where:
Base-Base interactions energy: -113.935
where: short stacking energy: -41.029
Base-Backbone interact. energy: -0.095
local terms energy: -55.485352
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -13.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -175.197155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.197155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.197155 (E_RNA)
where:
Base-Base interactions energy: -112.737
where: short stacking energy: -42.471
Base-Backbone interact. energy: -0.100
local terms energy: -62.359372
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -8.291
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: 5, replica: 1
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -157.702979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.702979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.702979 (E_RNA)
where:
Base-Base interactions energy: -101.367
where: short stacking energy: -36.351
Base-Backbone interact. energy: -0.812
local terms energy: -55.523802
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -9.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -101.509257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.509257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.509257 (E_RNA)
where:
Base-Base interactions energy: -55.112
where: short stacking energy: -31.400
Base-Backbone interact. energy: -0.021
local terms energy: -46.376013
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -0.587
tors. eta vs tors. theta energy: -7.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -75.789218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.789218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.789218 (E_RNA)
where:
Base-Base interactions energy: -32.126
where: short stacking energy: -12.253
Base-Backbone interact. energy: 0.302
local terms energy: -43.965427
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -7.806
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: 8, replica: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -86.248745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.248745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.248745 (E_RNA)
where:
Base-Base interactions energy: -41.413
where: short stacking energy: -19.331
Base-Backbone interact. energy: -0.038
local terms energy: -44.798482
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -5.935
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: 9, replica: 3
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -71.792721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.792721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.792721 (E_RNA)
where:
Base-Base interactions energy: -30.107
where: short stacking energy: -18.826
Base-Backbone interact. energy: -0.137
local terms energy: -41.548576
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -7.435
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -52.725406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -52.725406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -52.725406 (E_RNA)
where:
Base-Base interactions energy: -12.976
where: short stacking energy: -12.976
Base-Backbone interact. energy: -0.219
local terms energy: -39.530224
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -6.629
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -8.202
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: 7
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -176.565885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.565885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.565885 (E_RNA)
where:
Base-Base interactions energy: -114.366
where: short stacking energy: -46.442
Base-Backbone interact. energy: -0.102
local terms energy: -62.097964
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -16.621
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: 195
Temperature: 0.950000
Total energy: -178.128524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.128524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.128524 (E_RNA)
where:
Base-Base interactions energy: -112.068
where: short stacking energy: -42.769
Base-Backbone interact. energy: -0.104
local terms energy: -65.956294
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -175.058954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.058954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.058954 (E_RNA)
where:
Base-Base interactions energy: -116.602
where: short stacking energy: -43.854
Base-Backbone interact. energy: -0.008
local terms energy: -58.449305
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -6.788
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: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -170.699299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.699299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.699299 (E_RNA)
where:
Base-Base interactions energy: -107.490
where: short stacking energy: -42.219
Base-Backbone interact. energy: -0.112
local terms energy: -63.097235
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -127.903569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.903569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.903569 (E_RNA)
where:
Base-Base interactions energy: -81.500
where: short stacking energy: -28.991
Base-Backbone interact. energy: -0.033
local terms energy: -46.370840
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -10.007
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -97.774763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.774763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.774763 (E_RNA)
where:
Base-Base interactions energy: -45.816
where: short stacking energy: -25.908
Base-Backbone interact. energy: -0.715
local terms energy: -51.244227
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -101.571784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.571784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.571784 (E_RNA)
where:
Base-Base interactions energy: -58.842
where: short stacking energy: -22.491
Base-Backbone interact. energy: -0.056
local terms energy: -42.673320
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -7.266
flat angles P-C4'-P energy: -8.436
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: 8, replica: 3
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -62.989760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.989760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.989760 (E_RNA)
where:
Base-Base interactions energy: -16.732
where: short stacking energy: -16.732
Base-Backbone interact. energy: -2.708
local terms energy: -43.549702
where:
bonds (distance) C4'-P energy: -8.474
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -2.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -65.883403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.883403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.883403 (E_RNA)
where:
Base-Base interactions energy: -20.262
where: short stacking energy: -14.862
Base-Backbone interact. energy: -0.176
local terms energy: -45.445625
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -8.342
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: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -69.934056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.934056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.934056 (E_RNA)
where:
Base-Base interactions energy: -35.064
where: short stacking energy: -11.696
Base-Backbone interact. energy: -0.077
local terms energy: -34.793037
where:
bonds (distance) C4'-P energy: -8.986
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -8.406
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: 5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -176.396661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.396661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.396661 (E_RNA)
where:
Base-Base interactions energy: -114.546
where: short stacking energy: -40.776
Base-Backbone interact. energy: -0.042
local terms energy: -61.808831
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -14.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -179.722958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.722958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.722958 (E_RNA)
where:
Base-Base interactions energy: -118.928
where: short stacking energy: -50.112
Base-Backbone interact. energy: -0.056
local terms energy: -60.738979
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -5.145
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: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -175.711490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.711490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.711490 (E_RNA)
where:
Base-Base interactions energy: -115.475
where: short stacking energy: -43.034
Base-Backbone interact. energy: -0.016
local terms energy: -60.220840
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -167.692999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.692999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.692999 (E_RNA)
where:
Base-Base interactions energy: -110.353
where: short stacking energy: -42.464
Base-Backbone interact. energy: -0.091
local terms energy: -57.248365
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -8.855
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: 5, replica: 1
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -169.207986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.207986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.207986 (E_RNA)
where:
Base-Base interactions energy: -116.220
where: short stacking energy: -41.863
Base-Backbone interact. energy: -0.013
local terms energy: -52.975104
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -9.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -86.952734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.952734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.952734 (E_RNA)
where:
Base-Base interactions energy: -44.941
where: short stacking energy: -16.447
Base-Backbone interact. energy: -0.307
local terms energy: -41.704160
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -5.216
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: 7, replica: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -62.664693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.664693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.664693 (E_RNA)
where:
Base-Base interactions energy: -22.737
where: short stacking energy: -10.149
Base-Backbone interact. energy: -0.366
local terms energy: -39.562373
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: 0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -80.474285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.474285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.474285 (E_RNA)
where:
Base-Base interactions energy: -46.798
where: short stacking energy: -15.285
Base-Backbone interact. energy: -0.602
local terms energy: -33.074137
where:
bonds (distance) C4'-P energy: -3.819
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -7.176
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -1.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -65.627842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.627842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.627842 (E_RNA)
where:
Base-Base interactions energy: -25.807
where: short stacking energy: -16.224
Base-Backbone interact. energy: -0.168
local terms energy: -39.652974
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -8.855
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -8.784
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: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -55.967141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.967141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.967141 (E_RNA)
where:
Base-Base interactions energy: -16.150
where: short stacking energy: -16.150
Base-Backbone interact. energy: 0.409
local terms energy: -40.226462
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: -0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -176.021906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.021906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.021906 (E_RNA)
where:
Base-Base interactions energy: -121.412
where: short stacking energy: -45.142
Base-Backbone interact. energy: -0.002
local terms energy: -54.608767
where:
bonds (distance) C4'-P energy: -10.747
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -14.658
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: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -181.119418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.119418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.119418 (E_RNA)
where:
Base-Base interactions energy: -115.085
where: short stacking energy: -49.111
Base-Backbone interact. energy: -0.009
local terms energy: -66.024939
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -18.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -173.607659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.607659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.607659 (E_RNA)
where:
Base-Base interactions energy: -112.801
where: short stacking energy: -44.487
Base-Backbone interact. energy: -0.123
local terms energy: -60.683603
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -170.537815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.537815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.537815 (E_RNA)
where:
Base-Base interactions energy: -107.899
where: short stacking energy: -40.118
Base-Backbone interact. energy: -0.008
local terms energy: -62.630759
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -6.470
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: 5, replica: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -164.986812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.986812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.986812 (E_RNA)
where:
Base-Base interactions energy: -108.150
where: short stacking energy: -43.447
Base-Backbone interact. energy: 1.035
local terms energy: -57.871908
where:
bonds (distance) C4'-P energy: -8.896
bonds (distance) P-C4' energy: -10.095
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -17.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -75.121352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.121352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.121352 (E_RNA)
where:
Base-Base interactions energy: -26.053
where: short stacking energy: -18.188
Base-Backbone interact. energy: -0.104
local terms energy: -48.964332
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -7.029
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: 7, replica: 9
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -79.603176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.603176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.603176 (E_RNA)
where:
Base-Base interactions energy: -34.321
where: short stacking energy: -14.147
Base-Backbone interact. energy: -0.215
local terms energy: -45.066908
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -8.981
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: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -61.493419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.493419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.493419 (E_RNA)
where:
Base-Base interactions energy: -26.496
where: short stacking energy: -22.769
Base-Backbone interact. energy: -0.040
local terms energy: -34.956611
where:
bonds (distance) C4'-P energy: -5.513
bonds (distance) P-C4' energy: -10.360
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: 0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -66.016102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.016102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.016102 (E_RNA)
where:
Base-Base interactions energy: -21.634
where: short stacking energy: -9.014
Base-Backbone interact. energy: -0.272
local terms energy: -44.110499
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: 3.206
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: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -59.072147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.072147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.072147 (E_RNA)
where:
Base-Base interactions energy: -14.521
where: short stacking energy: -12.267
Base-Backbone interact. energy: -0.236
local terms energy: -44.314709
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -187.158151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.158151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.158151 (E_RNA)
where:
Base-Base interactions energy: -124.075
where: short stacking energy: -44.746
Base-Backbone interact. energy: -0.326
local terms energy: -62.756669
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -12.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -175.901773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.901773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.901773 (E_RNA)
where:
Base-Base interactions energy: -112.080
where: short stacking energy: -40.472
Base-Backbone interact. energy: -0.048
local terms energy: -63.774486
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -177.957345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.957345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.957345 (E_RNA)
where:
Base-Base interactions energy: -116.716
where: short stacking energy: -48.083
Base-Backbone interact. energy: 0.514
local terms energy: -61.755489
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -173.355082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.355082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.355082 (E_RNA)
where:
Base-Base interactions energy: -115.590
where: short stacking energy: -43.311
Base-Backbone interact. energy: -0.419
local terms energy: -57.346251
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -9.879
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -14.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -159.431114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.431114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.431114 (E_RNA)
where:
Base-Base interactions energy: -97.531
where: short stacking energy: -39.575
Base-Backbone interact. energy: -0.005
local terms energy: -61.894698
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -83.577868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.577868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.577868 (E_RNA)
where:
Base-Base interactions energy: -35.291
where: short stacking energy: -19.421
Base-Backbone interact. energy: -0.157
local terms energy: -48.129549
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -7.522
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -4.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -69.360753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.360753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.360753 (E_RNA)
where:
Base-Base interactions energy: -25.502
where: short stacking energy: -12.100
Base-Backbone interact. energy: -0.234
local terms energy: -43.624148
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -8.998
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -1.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -61.457714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.457714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.457714 (E_RNA)
where:
Base-Base interactions energy: -16.303
where: short stacking energy: -16.303
Base-Backbone interact. energy: -0.005
local terms energy: -45.149917
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -10.585
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -7.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -59.994588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.994588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.994588 (E_RNA)
where:
Base-Base interactions energy: -29.133
where: short stacking energy: -8.401
Base-Backbone interact. energy: -0.053
local terms energy: -30.808493
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -6.670
flat angles P-C4'-P energy: 0.215
tors. eta vs tors. theta energy: 2.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -62.274665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.274665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.274665 (E_RNA)
where:
Base-Base interactions energy: -17.203
where: short stacking energy: -12.781
Base-Backbone interact. energy: -0.097
local terms energy: -44.974653
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -6.580
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: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -178.850884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.850884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.850884 (E_RNA)
where:
Base-Base interactions energy: -119.125
where: short stacking energy: -44.741
Base-Backbone interact. energy: -0.172
local terms energy: -59.554518
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -12.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -183.102300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.102300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.102300 (E_RNA)
where:
Base-Base interactions energy: -114.912
where: short stacking energy: -48.481
Base-Backbone interact. energy: -0.023
local terms energy: -68.167320
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -178.324064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.324064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.324064 (E_RNA)
where:
Base-Base interactions energy: -115.475
where: short stacking energy: -47.072
Base-Backbone interact. energy: -0.031
local terms energy: -62.818146
where:
bonds (distance) C4'-P energy: -8.498
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -10.110
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: 4, replica: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -174.613173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.613173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.613173 (E_RNA)
where:
Base-Base interactions energy: -121.005
where: short stacking energy: -42.630
Base-Backbone interact. energy: 0.644
local terms energy: -54.251510
where:
bonds (distance) C4'-P energy: -8.452
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -11.912
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: 5, replica: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -160.699619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.699619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.699619 (E_RNA)
where:
Base-Base interactions energy: -100.910
where: short stacking energy: -37.953
Base-Backbone interact. energy: -0.509
local terms energy: -59.280530
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -13.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -82.579994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.579994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.579994 (E_RNA)
where:
Base-Base interactions energy: -34.062
where: short stacking energy: -20.610
Base-Backbone interact. energy: -0.861
local terms energy: -47.656360
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -8.891
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -6.738
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: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -80.090764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.090764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.090764 (E_RNA)
where:
Base-Base interactions energy: -40.727
where: short stacking energy: -21.441
Base-Backbone interact. energy: -0.070
local terms energy: -39.293937
where:
bonds (distance) C4'-P energy: -8.849
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -1.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -78.000854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.000854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.000854 (E_RNA)
where:
Base-Base interactions energy: -34.312
where: short stacking energy: -13.336
Base-Backbone interact. energy: -0.038
local terms energy: -43.650906
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -7.351
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: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -64.291410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.291410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.291410 (E_RNA)
where:
Base-Base interactions energy: -31.955
where: short stacking energy: -8.084
Base-Backbone interact. energy: -0.417
local terms energy: -31.919127
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -9.999
flat angles C4'-P-C4' energy: -4.779
flat angles P-C4'-P energy: -4.826
tors. eta vs tors. theta energy: 1.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -57.925049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.925049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.925049 (E_RNA)
where:
Base-Base interactions energy: -15.802
where: short stacking energy: -15.802
Base-Backbone interact. energy: -0.268
local terms energy: -41.855083
where:
bonds (distance) C4'-P energy: -8.386
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: 0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -185.234831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.234831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.234831 (E_RNA)
where:
Base-Base interactions energy: -118.590
where: short stacking energy: -50.148
Base-Backbone interact. energy: -0.004
local terms energy: -66.640921
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -17.628
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: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -179.158955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.158955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.158955 (E_RNA)
where:
Base-Base interactions energy: -114.173
where: short stacking energy: -46.179
Base-Backbone interact. energy: -0.001
local terms energy: -64.985599
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -10.228
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: 3, replica: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -172.967836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.967836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.967836 (E_RNA)
where:
Base-Base interactions energy: -114.519
where: short stacking energy: -45.086
Base-Backbone interact. energy: -0.002
local terms energy: -58.446229
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -11.958
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -16.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -174.538525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.538525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.538525 (E_RNA)
where:
Base-Base interactions energy: -109.072
where: short stacking energy: -46.800
Base-Backbone interact. energy: -0.070
local terms energy: -65.397287
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -10.276
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: 5, replica: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -167.220023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.220023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.220023 (E_RNA)
where:
Base-Base interactions energy: -106.955
where: short stacking energy: -40.956
Base-Backbone interact. energy: -0.116
local terms energy: -60.148826
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -15.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -97.632957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.632957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.632957 (E_RNA)
where:
Base-Base interactions energy: -57.303
where: short stacking energy: -23.564
Base-Backbone interact. energy: -0.058
local terms energy: -40.271646
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -7.434
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: 7, replica: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -82.842803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.842803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.842803 (E_RNA)
where:
Base-Base interactions energy: -40.735
where: short stacking energy: -14.268
Base-Backbone interact. energy: -0.293
local terms energy: -41.814929
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -9.425
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -4.711
tors. eta vs tors. theta energy: -0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -67.848855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.848855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.848855 (E_RNA)
where:
Base-Base interactions energy: -20.964
where: short stacking energy: -20.526
Base-Backbone interact. energy: -0.074
local terms energy: -46.810849
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -7.574
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -59.257339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.257339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.257339 (E_RNA)
where:
Base-Base interactions energy: -21.160
where: short stacking energy: -11.209
Base-Backbone interact. energy: -0.110
local terms energy: -37.987147
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -6.913
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: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -68.867379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.867379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.867379 (E_RNA)
where:
Base-Base interactions energy: -24.677
where: short stacking energy: -5.266
Base-Backbone interact. energy: -0.439
local terms energy: -43.751263
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -7.335
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -1.269
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: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -177.347090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.347090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.347090 (E_RNA)
where:
Base-Base interactions energy: -117.310
where: short stacking energy: -46.202
Base-Backbone interact. energy: -0.006
local terms energy: -60.031179
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -11.193
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -13.256
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: 201
Temperature: 0.950000
Total energy: -178.055564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.055564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.055564 (E_RNA)
where:
Base-Base interactions energy: -117.913
where: short stacking energy: -43.501
Base-Backbone interact. energy: -0.122
local terms energy: -60.020750
where:
bonds (distance) C4'-P energy: -8.945
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -170.653562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.653562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.653562 (E_RNA)
where:
Base-Base interactions energy: -109.338
where: short stacking energy: -42.380
Base-Backbone interact. energy: -1.199
local terms energy: -60.116892
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -12.036
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: 6
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -166.495436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.495436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.495436 (E_RNA)
where:
Base-Base interactions energy: -98.434
where: short stacking energy: -38.359
Base-Backbone interact. energy: -0.853
local terms energy: -67.208647
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -169.730078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.730078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.730078 (E_RNA)
where:
Base-Base interactions energy: -114.538
where: short stacking energy: -46.520
Base-Backbone interact. energy: 0.139
local terms energy: -55.330513
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -9.363
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -9.455
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: 6, replica: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -74.886337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.886337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.886337 (E_RNA)
where:
Base-Base interactions energy: -29.021
where: short stacking energy: -24.708
Base-Backbone interact. energy: -0.056
local terms energy: -45.809274
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -7.189
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -85.035536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.035536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.035536 (E_RNA)
where:
Base-Base interactions energy: -44.903
where: short stacking energy: -5.962
Base-Backbone interact. energy: -0.168
local terms energy: -39.964743
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -8.273
flat angles P-C4'-P energy: -4.591
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: 8, replica: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -68.440605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.440605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.440605 (E_RNA)
where:
Base-Base interactions energy: -21.959
where: short stacking energy: -12.397
Base-Backbone interact. energy: 0.038
local terms energy: -46.520111
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -10.613
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: 9, replica: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -65.209226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.209226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.209226 (E_RNA)
where:
Base-Base interactions energy: -28.078
where: short stacking energy: -15.999
Base-Backbone interact. energy: -0.391
local terms energy: -36.740630
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -5.356
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: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -57.082141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.082141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.082141 (E_RNA)
where:
Base-Base interactions energy: -26.553
where: short stacking energy: -11.854
Base-Backbone interact. energy: 0.664
local terms energy: -31.192788
where:
bonds (distance) C4'-P energy: -8.298
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -4.907
flat angles P-C4'-P energy: -7.256
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: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -183.222208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.222208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.222208 (E_RNA)
where:
Base-Base interactions energy: -124.964
where: short stacking energy: -45.252
Base-Backbone interact. energy: -1.120
local terms energy: -57.138462
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -13.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -175.619454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.619454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.619454 (E_RNA)
where:
Base-Base interactions energy: -117.647
where: short stacking energy: -41.064
Base-Backbone interact. energy: -0.075
local terms energy: -57.898068
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -13.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -168.703850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.703850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.703850 (E_RNA)
where:
Base-Base interactions energy: -112.138
where: short stacking energy: -43.679
Base-Backbone interact. energy: -0.930
local terms energy: -55.635193
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -8.313
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -145.401028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.401028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.401028 (E_RNA)
where:
Base-Base interactions energy: -87.690
where: short stacking energy: -33.468
Base-Backbone interact. energy: -0.974
local terms energy: -56.737041
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -9.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -169.428410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.428410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.428410 (E_RNA)
where:
Base-Base interactions energy: -115.093
where: short stacking energy: -42.644
Base-Backbone interact. energy: -0.687
local terms energy: -53.648497
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -8.470
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -4.388
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: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -76.220763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.220763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.220763 (E_RNA)
where:
Base-Base interactions energy: -42.135
where: short stacking energy: -29.635
Base-Backbone interact. energy: -0.550
local terms energy: -33.535717
where:
bonds (distance) C4'-P energy: -8.502
bonds (distance) P-C4' energy: -6.798
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -5.704
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: 7, replica: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -68.665545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.665545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.665545 (E_RNA)
where:
Base-Base interactions energy: -21.378
where: short stacking energy: -21.378
Base-Backbone interact. energy: -0.028
local terms energy: -47.259759
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -7.598
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: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -59.688878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.688878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.688878 (E_RNA)
where:
Base-Base interactions energy: -20.643
where: short stacking energy: -4.656
Base-Backbone interact. energy: -0.170
local terms energy: -38.875660
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: 1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -67.598830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.598830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.598830 (E_RNA)
where:
Base-Base interactions energy: -29.340
where: short stacking energy: -15.863
Base-Backbone interact. energy: -0.174
local terms energy: -38.084307
where:
bonds (distance) C4'-P energy: -9.672
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -6.987
flat angles P-C4'-P energy: -6.616
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: 10, replica: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -57.761760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.761760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.761760 (E_RNA)
where:
Base-Base interactions energy: -19.870
where: short stacking energy: -19.870
Base-Backbone interact. energy: -0.177
local terms energy: -37.714158
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -6.812
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -178.778118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.778118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.778118 (E_RNA)
where:
Base-Base interactions energy: -116.029
where: short stacking energy: -45.089
Base-Backbone interact. energy: -0.033
local terms energy: -62.715729
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -174.618746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.618746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.618746 (E_RNA)
where:
Base-Base interactions energy: -117.378
where: short stacking energy: -45.401
Base-Backbone interact. energy: -0.012
local terms energy: -57.228592
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -9.228
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -15.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -176.173345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.173345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.173345 (E_RNA)
where:
Base-Base interactions energy: -114.848
where: short stacking energy: -49.098
Base-Backbone interact. energy: -0.803
local terms energy: -60.522332
where:
bonds (distance) C4'-P energy: -8.829
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -9.220
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: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -173.120106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.120106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.120106 (E_RNA)
where:
Base-Base interactions energy: -113.292
where: short stacking energy: -47.468
Base-Backbone interact. energy: -0.002
local terms energy: -59.825259
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -125.542611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.542611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.542611 (E_RNA)
where:
Base-Base interactions energy: -66.339
where: short stacking energy: -27.455
Base-Backbone interact. energy: -0.576
local terms energy: -58.627764
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -12.061
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: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -63.114914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.114914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.114914 (E_RNA)
where:
Base-Base interactions energy: -15.539
where: short stacking energy: -7.424
Base-Backbone interact. energy: -0.397
local terms energy: -47.178721
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -9.299
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -72.763911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.763911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.763911 (E_RNA)
where:
Base-Base interactions energy: -33.773
where: short stacking energy: -9.860
Base-Backbone interact. energy: -0.420
local terms energy: -38.570669
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -2.461
tors. eta vs tors. theta energy: 1.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -66.792216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.792216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.792216 (E_RNA)
where:
Base-Base interactions energy: -20.572
where: short stacking energy: -16.303
Base-Backbone interact. energy: -0.096
local terms energy: -46.123856
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -9.957
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -4.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -63.286312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.286312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.286312 (E_RNA)
where:
Base-Base interactions energy: -27.242
where: short stacking energy: -13.486
Base-Backbone interact. energy: 0.397
local terms energy: -36.440873
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -7.643
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: 3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -61.576693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.576693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.576693 (E_RNA)
where:
Base-Base interactions energy: -23.063
where: short stacking energy: -13.778
Base-Backbone interact. energy: -0.022
local terms energy: -38.492512
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -2.787
tors. eta vs tors. theta energy: 0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -181.945513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.945513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.945513 (E_RNA)
where:
Base-Base interactions energy: -114.094
where: short stacking energy: -49.529
Base-Backbone interact. energy: -0.032
local terms energy: -67.819295
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -8.973
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: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -178.511633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.511633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.511633 (E_RNA)
where:
Base-Base interactions energy: -111.177
where: short stacking energy: -50.143
Base-Backbone interact. energy: -0.007
local terms energy: -67.327086
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -174.407109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.407109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.407109 (E_RNA)
where:
Base-Base interactions energy: -113.143
where: short stacking energy: -45.360
Base-Backbone interact. energy: -0.009
local terms energy: -61.255257
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -171.348196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.348196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.348196 (E_RNA)
where:
Base-Base interactions energy: -108.087
where: short stacking energy: -39.802
Base-Backbone interact. energy: 0.485
local terms energy: -63.746121
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -15.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -144.403093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.403093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.403093 (E_RNA)
where:
Base-Base interactions energy: -93.265
where: short stacking energy: -34.290
Base-Backbone interact. energy: -0.040
local terms energy: -51.097967
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -9.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -77.120334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.120334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.120334 (E_RNA)
where:
Base-Base interactions energy: -32.621
where: short stacking energy: -10.813
Base-Backbone interact. energy: -0.247
local terms energy: -44.252454
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -10.269
flat angles C4'-P-C4' energy: -7.469
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -85.422860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.422860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.422860 (E_RNA)
where:
Base-Base interactions energy: -40.502
where: short stacking energy: -35.026
Base-Backbone interact. energy: -0.001
local terms energy: -44.920038
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -7.195
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: -11.113
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: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -83.193442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.193442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.193442 (E_RNA)
where:
Base-Base interactions energy: -38.578
where: short stacking energy: -13.919
Base-Backbone interact. energy: -1.106
local terms energy: -43.508825
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: 1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -72.205507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.205507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.205507 (E_RNA)
where:
Base-Base interactions energy: -30.972
where: short stacking energy: -14.422
Base-Backbone interact. energy: 1.423
local terms energy: -42.656783
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -7.809
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -5.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -61.302147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.302147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.302147 (E_RNA)
where:
Base-Base interactions energy: -17.211
where: short stacking energy: -17.211
Base-Backbone interact. energy: -0.071
local terms energy: -44.020340
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -7.767
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: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -183.131348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.131348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.131348 (E_RNA)
where:
Base-Base interactions energy: -115.479
where: short stacking energy: -49.975
Base-Backbone interact. energy: -0.001
local terms energy: -67.651614
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -10.483
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: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -177.744779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.744779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.744779 (E_RNA)
where:
Base-Base interactions energy: -111.826
where: short stacking energy: -46.685
Base-Backbone interact. energy: -0.401
local terms energy: -65.517013
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -11.013
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: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -173.815861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.815861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.815861 (E_RNA)
where:
Base-Base interactions energy: -116.237
where: short stacking energy: -41.263
Base-Backbone interact. energy: -0.126
local terms energy: -57.452619
where:
bonds (distance) C4'-P energy: -10.362
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -7.599
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: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -161.971399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.971399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.971399 (E_RNA)
where:
Base-Base interactions energy: -103.925
where: short stacking energy: -42.242
Base-Backbone interact. energy: -0.098
local terms energy: -57.948252
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -12.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -168.496504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.496504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.496504 (E_RNA)
where:
Base-Base interactions energy: -112.788
where: short stacking energy: -44.288
Base-Backbone interact. energy: -0.013
local terms energy: -55.695042
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -9.810
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -16.075
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: 6, replica: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -81.273410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.273410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.273410 (E_RNA)
where:
Base-Base interactions energy: -50.620
where: short stacking energy: -12.982
Base-Backbone interact. energy: 0.005
local terms energy: -30.658391
where:
bonds (distance) C4'-P energy: -4.360
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: 3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -74.039193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.039193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.039193 (E_RNA)
where:
Base-Base interactions energy: -29.687
where: short stacking energy: -25.844
Base-Backbone interact. energy: -0.000
local terms energy: -44.351754
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -5.129
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -8.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -60.242848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.242848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.242848 (E_RNA)
where:
Base-Base interactions energy: -22.430
where: short stacking energy: -5.397
Base-Backbone interact. energy: 0.719
local terms energy: -38.530991
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -4.886
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: 1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -74.449394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.449394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.449394 (E_RNA)
where:
Base-Base interactions energy: -29.334
where: short stacking energy: -16.174
Base-Backbone interact. energy: -0.010
local terms energy: -45.105587
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -9.632
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -8.038
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: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -68.622704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.622704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.622704 (E_RNA)
where:
Base-Base interactions energy: -29.384
where: short stacking energy: -25.062
Base-Backbone interact. energy: 0.097
local terms energy: -39.336597
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -4.494
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -4.237
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: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -180.776167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.776167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.776167 (E_RNA)
where:
Base-Base interactions energy: -118.153
where: short stacking energy: -49.478
Base-Backbone interact. energy: -0.013
local terms energy: -62.610197
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -16.593
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: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -175.856576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.856576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.856576 (E_RNA)
where:
Base-Base interactions energy: -113.761
where: short stacking energy: -43.502
Base-Backbone interact. energy: -0.102
local terms energy: -61.993094
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -177.067033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.067033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.067033 (E_RNA)
where:
Base-Base interactions energy: -117.135
where: short stacking energy: -51.379
Base-Backbone interact. energy: -0.009
local terms energy: -59.922837
where:
bonds (distance) C4'-P energy: -8.783
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -176.008701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.008701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.008701 (E_RNA)
where:
Base-Base interactions energy: -114.351
where: short stacking energy: -51.315
Base-Backbone interact. energy: 0.006
local terms energy: -61.664041
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -14.914
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: 206
Temperature: 1.100000
Total energy: -164.711131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.711131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.711131 (E_RNA)
where:
Base-Base interactions energy: -112.648
where: short stacking energy: -43.175
Base-Backbone interact. energy: -0.065
local terms energy: -51.997713
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -11.432
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -3.734
tors. eta vs tors. theta energy: -12.518
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: 4
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -78.554551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.554551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.554551 (E_RNA)
where:
Base-Base interactions energy: -33.942
where: short stacking energy: -22.356
Base-Backbone interact. energy: -1.287
local terms energy: -43.325819
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -5.590
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: 7, replica: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -66.955443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.955443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.955443 (E_RNA)
where:
Base-Base interactions energy: -30.048
where: short stacking energy: -14.747
Base-Backbone interact. energy: -0.109
local terms energy: -36.798137
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -81.483170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.483170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.483170 (E_RNA)
where:
Base-Base interactions energy: -38.654
where: short stacking energy: -18.051
Base-Backbone interact. energy: -0.114
local terms energy: -42.714756
where:
bonds (distance) C4'-P energy: -8.950
bonds (distance) P-C4' energy: -7.257
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -10.996
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: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -60.541092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.541092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.541092 (E_RNA)
where:
Base-Base interactions energy: -27.764
where: short stacking energy: -14.243
Base-Backbone interact. energy: -0.102
local terms energy: -32.674623
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -1.936
tors. eta vs tors. theta energy: 3.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -61.576982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.576982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.576982 (E_RNA)
where:
Base-Base interactions energy: -16.160
where: short stacking energy: -15.805
Base-Backbone interact. energy: -0.005
local terms energy: -45.412363
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -183.450545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.450545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.450545 (E_RNA)
where:
Base-Base interactions energy: -121.746
where: short stacking energy: -48.530
Base-Backbone interact. energy: -0.005
local terms energy: -61.698993
where:
bonds (distance) C4'-P energy: -6.845
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -9.867
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: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -177.657364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.657364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.657364 (E_RNA)
where:
Base-Base interactions energy: -117.919
where: short stacking energy: -48.622
Base-Backbone interact. energy: -0.137
local terms energy: -59.600667
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -8.651
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: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -174.125394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.125394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.125394 (E_RNA)
where:
Base-Base interactions energy: -111.178
where: short stacking energy: -41.372
Base-Backbone interact. energy: -0.016
local terms energy: -62.931278
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -6.728
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: 4, replica: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -173.284471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.284471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.284471 (E_RNA)
where:
Base-Base interactions energy: -109.854
where: short stacking energy: -39.723
Base-Backbone interact. energy: -0.051
local terms energy: -63.379391
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -167.389900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.389900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.389900 (E_RNA)
where:
Base-Base interactions energy: -107.268
where: short stacking energy: -45.780
Base-Backbone interact. energy: 1.645
local terms energy: -61.766510
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -77.933972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.933972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.933972 (E_RNA)
where:
Base-Base interactions energy: -42.463
where: short stacking energy: -20.110
Base-Backbone interact. energy: -0.019
local terms energy: -35.451804
where:
bonds (distance) C4'-P energy: -4.283
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -6.265
flat angles P-C4'-P energy: -4.523
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: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -75.312476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.312476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.312476 (E_RNA)
where:
Base-Base interactions energy: -32.974
where: short stacking energy: -15.468
Base-Backbone interact. energy: -0.534
local terms energy: -41.804536
where:
bonds (distance) C4'-P energy: -8.195
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -70.358037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.358037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.358037 (E_RNA)
where:
Base-Base interactions energy: -43.331
where: short stacking energy: -9.480
Base-Backbone interact. energy: -0.222
local terms energy: -26.805447
where:
bonds (distance) C4'-P energy: -1.278
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -8.103
flat angles P-C4'-P energy: -4.436
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: 9, replica: 10
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -79.190451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.190451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.190451 (E_RNA)
where:
Base-Base interactions energy: -34.038
where: short stacking energy: -15.482
Base-Backbone interact. energy: -0.189
local terms energy: -44.964053
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -56.937996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.937996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.937996 (E_RNA)
where:
Base-Base interactions energy: -15.881
where: short stacking energy: -7.544
Base-Backbone interact. energy: -0.241
local terms energy: -40.816047
where:
bonds (distance) C4'-P energy: -5.779
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: 0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -184.304729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.304729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.304729 (E_RNA)
where:
Base-Base interactions energy: -119.750
where: short stacking energy: -48.157
Base-Backbone interact. energy: -0.002
local terms energy: -64.552785
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -14.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -176.534866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.534866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.534866 (E_RNA)
where:
Base-Base interactions energy: -112.477
where: short stacking energy: -43.342
Base-Backbone interact. energy: -0.890
local terms energy: -63.168089
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -9.688
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -180.545678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.545678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.545678 (E_RNA)
where:
Base-Base interactions energy: -113.092
where: short stacking energy: -48.411
Base-Backbone interact. energy: -0.012
local terms energy: -67.442157
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -165.614326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.614326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.614326 (E_RNA)
where:
Base-Base interactions energy: -106.622
where: short stacking energy: -44.662
Base-Backbone interact. energy: -0.002
local terms energy: -58.990291
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -7.198
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: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -155.883338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.883338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.883338 (E_RNA)
where:
Base-Base interactions energy: -108.116
where: short stacking energy: -42.255
Base-Backbone interact. energy: 1.461
local terms energy: -49.228047
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -9.754
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -11.973
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: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -79.951961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.951961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.951961 (E_RNA)
where:
Base-Base interactions energy: -37.573
where: short stacking energy: -18.914
Base-Backbone interact. energy: -0.168
local terms energy: -42.211744
where:
bonds (distance) C4'-P energy: -6.503
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -8.524
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: 7, replica: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -87.195488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.195488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.195488 (E_RNA)
where:
Base-Base interactions energy: -32.331
where: short stacking energy: -23.346
Base-Backbone interact. energy: -0.017
local terms energy: -54.848026
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -10.580
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: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -68.130740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.130740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.130740 (E_RNA)
where:
Base-Base interactions energy: -26.904
where: short stacking energy: -19.860
Base-Backbone interact. energy: -0.005
local terms energy: -41.222415
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -9.555
flat angles C4'-P-C4' energy: -8.441
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: -6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -60.664854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.664854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.664854 (E_RNA)
where:
Base-Base interactions energy: -18.464
where: short stacking energy: -13.855
Base-Backbone interact. energy: -0.031
local terms energy: -42.169986
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -6.950
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: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -74.158521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.158521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.158521 (E_RNA)
where:
Base-Base interactions energy: -24.053
where: short stacking energy: -11.255
Base-Backbone interact. energy: -0.194
local terms energy: -49.911854
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -5.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -182.183387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.183387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.183387 (E_RNA)
where:
Base-Base interactions energy: -122.088
where: short stacking energy: -49.457
Base-Backbone interact. energy: -0.077
local terms energy: -60.018472
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -14.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -177.544160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.544160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.544160 (E_RNA)
where:
Base-Base interactions energy: -118.700
where: short stacking energy: -44.124
Base-Backbone interact. energy: -0.002
local terms energy: -58.842801
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -9.249
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: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -173.450842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.450842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.450842 (E_RNA)
where:
Base-Base interactions energy: -109.889
where: short stacking energy: -34.959
Base-Backbone interact. energy: -0.027
local terms energy: -63.534362
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -175.373644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.373644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.373644 (E_RNA)
where:
Base-Base interactions energy: -118.312
where: short stacking energy: -34.321
Base-Backbone interact. energy: -0.180
local terms energy: -56.881741
where:
bonds (distance) C4'-P energy: -7.869
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -13.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -149.103000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.103000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.103000 (E_RNA)
where:
Base-Base interactions energy: -94.578
where: short stacking energy: -32.528
Base-Backbone interact. energy: -0.107
local terms energy: -54.417934
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -11.820
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: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -68.807544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.807544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.807544 (E_RNA)
where:
Base-Base interactions energy: -29.361
where: short stacking energy: -15.127
Base-Backbone interact. energy: -0.075
local terms energy: -39.371159
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -5.749
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: 7, replica: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -62.396805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.396805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.396805 (E_RNA)
where:
Base-Base interactions energy: -23.159
where: short stacking energy: -14.509
Base-Backbone interact. energy: -0.267
local terms energy: -38.971148
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -8.365
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -81.974395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.974395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.974395 (E_RNA)
where:
Base-Base interactions energy: -39.553
where: short stacking energy: -22.833
Base-Backbone interact. energy: -0.098
local terms energy: -42.323255
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -10.191
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -4.125
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: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -73.752363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.752363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.752363 (E_RNA)
where:
Base-Base interactions energy: -27.458
where: short stacking energy: -24.725
Base-Backbone interact. energy: -0.028
local terms energy: -46.265956
where:
bonds (distance) C4'-P energy: -4.856
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -8.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -57.679832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.679832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.679832 (E_RNA)
where:
Base-Base interactions energy: -16.487
where: short stacking energy: -12.914
Base-Backbone interact. energy: -0.297
local terms energy: -40.896018
where:
bonds (distance) C4'-P energy: -10.523
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: 0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -185.991700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.991700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.991700 (E_RNA)
where:
Base-Base interactions energy: -119.127
where: short stacking energy: -51.219
Base-Backbone interact. energy: -0.021
local terms energy: -66.843342
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -18.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -180.127662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.127662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.127662 (E_RNA)
where:
Base-Base interactions energy: -119.839
where: short stacking energy: -40.378
Base-Backbone interact. energy: -0.095
local terms energy: -60.193862
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -9.760
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -13.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -172.665714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.665714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.665714 (E_RNA)
where:
Base-Base interactions energy: -111.882
where: short stacking energy: -40.871
Base-Backbone interact. energy: -0.075
local terms energy: -60.708981
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -14.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -171.243426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.243426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.243426 (E_RNA)
where:
Base-Base interactions energy: -115.334
where: short stacking energy: -53.180
Base-Backbone interact. energy: -0.023
local terms energy: -55.885611
where:
bonds (distance) C4'-P energy: -7.547
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -4.708
tors. eta vs tors. theta energy: -17.002
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: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -165.306075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.306075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.306075 (E_RNA)
where:
Base-Base interactions energy: -110.827
where: short stacking energy: -35.495
Base-Backbone interact. energy: -0.094
local terms energy: -54.385456
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -7.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -72.994290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.994290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.994290 (E_RNA)
where:
Base-Base interactions energy: -33.226
where: short stacking energy: -16.489
Base-Backbone interact. energy: -0.137
local terms energy: -39.630994
where:
bonds (distance) C4'-P energy: -9.711
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -6.324
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: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -64.844227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.844227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.844227 (E_RNA)
where:
Base-Base interactions energy: -21.221
where: short stacking energy: -21.221
Base-Backbone interact. energy: -0.084
local terms energy: -43.539789
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -9.517
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -67.095853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.095853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.095853 (E_RNA)
where:
Base-Base interactions energy: -22.190
where: short stacking energy: -15.413
Base-Backbone interact. energy: 0.890
local terms energy: -45.795746
where:
bonds (distance) C4'-P energy: -9.074
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -11.180
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: 9, replica: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -56.496813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.496813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.496813 (E_RNA)
where:
Base-Base interactions energy: -15.569
where: short stacking energy: -15.569
Base-Backbone interact. energy: -1.191
local terms energy: -39.736022
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -62.210268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.210268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.210268 (E_RNA)
where:
Base-Base interactions energy: -17.025
where: short stacking energy: -9.215
Base-Backbone interact. energy: -0.142
local terms energy: -45.043477
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -6.800
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: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -185.846754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.846754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.846754 (E_RNA)
where:
Base-Base interactions energy: -120.488
where: short stacking energy: -50.583
Base-Backbone interact. energy: -0.004
local terms energy: -65.354978
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -7.808
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: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -179.228695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.228695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.228695 (E_RNA)
where:
Base-Base interactions energy: -122.231
where: short stacking energy: -43.562
Base-Backbone interact. energy: -0.089
local terms energy: -56.908596
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -9.925
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -173.507682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.507682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.507682 (E_RNA)
where:
Base-Base interactions energy: -111.129
where: short stacking energy: -44.726
Base-Backbone interact. energy: -0.004
local terms energy: -62.374462
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -172.318842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.318842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.318842 (E_RNA)
where:
Base-Base interactions energy: -110.227
where: short stacking energy: -42.021
Base-Backbone interact. energy: -0.006
local terms energy: -62.085778
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -15.285
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: 5, replica: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -167.583397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.583397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.583397 (E_RNA)
where:
Base-Base interactions energy: -115.518
where: short stacking energy: -39.478
Base-Backbone interact. energy: -0.028
local terms energy: -52.037491
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -12.498
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: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -70.385249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.385249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.385249 (E_RNA)
where:
Base-Base interactions energy: -26.186
where: short stacking energy: -20.580
Base-Backbone interact. energy: 0.402
local terms energy: -44.601230
where:
bonds (distance) C4'-P energy: -10.817
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -4.773
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: 7, replica: 8
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -59.920751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.920751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.920751 (E_RNA)
where:
Base-Base interactions energy: -19.012
where: short stacking energy: -14.490
Base-Backbone interact. energy: -0.068
local terms energy: -40.841124
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -2.170
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: 8, replica: 10
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -67.276898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.276898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.276898 (E_RNA)
where:
Base-Base interactions energy: -30.844
where: short stacking energy: -19.536
Base-Backbone interact. energy: -0.023
local terms energy: -36.410010
where:
bonds (distance) C4'-P energy: -8.155
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -1.138
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: 4
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -58.426277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.426277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.426277 (E_RNA)
where:
Base-Base interactions energy: -14.095
where: short stacking energy: -13.507
Base-Backbone interact. energy: -0.156
local terms energy: -44.174855
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: 2.490
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: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -58.981716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.981716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.981716 (E_RNA)
where:
Base-Base interactions energy: -15.252
where: short stacking energy: -15.252
Base-Backbone interact. energy: -0.232
local terms energy: -43.497510
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -181.017382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.017382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.017382 (E_RNA)
where:
Base-Base interactions energy: -119.899
where: short stacking energy: -48.987
Base-Backbone interact. energy: -0.019
local terms energy: -61.099219
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -13.942
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: 2, replica: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -180.556876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.556876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.556876 (E_RNA)
where:
Base-Base interactions energy: -117.159
where: short stacking energy: -47.370
Base-Backbone interact. energy: -0.639
local terms energy: -62.758960
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -172.699711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.699711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.699711 (E_RNA)
where:
Base-Base interactions energy: -111.468
where: short stacking energy: -42.555
Base-Backbone interact. energy: -1.193
local terms energy: -60.038138
where:
bonds (distance) C4'-P energy: -9.944
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -8.988
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: 4, replica: 6
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -171.293740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.293740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.293740 (E_RNA)
where:
Base-Base interactions energy: -112.029
where: short stacking energy: -47.452
Base-Backbone interact. energy: -0.035
local terms energy: -59.229647
where:
bonds (distance) C4'-P energy: -7.940
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -15.649
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: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -158.763993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.763993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.763993 (E_RNA)
where:
Base-Base interactions energy: -108.669
where: short stacking energy: -35.959
Base-Backbone interact. energy: -0.182
local terms energy: -49.913186
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -10.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -81.488182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.488182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.488182 (E_RNA)
where:
Base-Base interactions energy: -34.734
where: short stacking energy: -28.117
Base-Backbone interact. energy: 0.550
local terms energy: -47.304961
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -8.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -77.460446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.460446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.460446 (E_RNA)
where:
Base-Base interactions energy: -30.440
where: short stacking energy: -18.494
Base-Backbone interact. energy: -0.017
local terms energy: -47.003226
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -8.972
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -73.713027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.713027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.713027 (E_RNA)
where:
Base-Base interactions energy: -24.961
where: short stacking energy: -10.821
Base-Backbone interact. energy: -0.231
local terms energy: -48.520744
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -9.500
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: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -66.732104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.732104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.732104 (E_RNA)
where:
Base-Base interactions energy: -22.480
where: short stacking energy: -21.074
Base-Backbone interact. energy: -0.056
local terms energy: -44.195586
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -10.186
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -64.879699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.879699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.879699 (E_RNA)
where:
Base-Base interactions energy: -30.607
where: short stacking energy: -11.387
Base-Backbone interact. energy: -0.378
local terms energy: -33.895028
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -8.370
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -3.160
tors. eta vs tors. theta energy: 0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -182.968232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.968232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.968232 (E_RNA)
where:
Base-Base interactions energy: -119.021
where: short stacking energy: -46.149
Base-Backbone interact. energy: -0.002
local terms energy: -63.945467
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -179.135391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.135391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.135391 (E_RNA)
where:
Base-Base interactions energy: -115.097
where: short stacking energy: -48.437
Base-Backbone interact. energy: -0.247
local terms energy: -63.791457
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -171.828966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.828966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.828966 (E_RNA)
where:
Base-Base interactions energy: -105.904
where: short stacking energy: -42.184
Base-Backbone interact. energy: -0.863
local terms energy: -65.061900
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -178.973886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.973886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.973886 (E_RNA)
where:
Base-Base interactions energy: -118.137
where: short stacking energy: -48.360
Base-Backbone interact. energy: -0.967
local terms energy: -59.870289
where:
bonds (distance) C4'-P energy: -10.134
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -10.719
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: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -172.734076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.734076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.734076 (E_RNA)
where:
Base-Base interactions energy: -111.999
where: short stacking energy: -38.086
Base-Backbone interact. energy: -0.097
local terms energy: -60.638654
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -8.444
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: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -71.856164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.856164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.856164 (E_RNA)
where:
Base-Base interactions energy: -20.397
where: short stacking energy: -19.706
Base-Backbone interact. energy: -0.230
local terms energy: -51.228829
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -75.469206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.469206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.469206 (E_RNA)
where:
Base-Base interactions energy: -35.087
where: short stacking energy: -16.709
Base-Backbone interact. energy: -0.165
local terms energy: -40.217606
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -66.092207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.092207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.092207 (E_RNA)
where:
Base-Base interactions energy: -26.999
where: short stacking energy: -16.636
Base-Backbone interact. energy: -0.121
local terms energy: -38.972238
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -5.096
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: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -61.175274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.175274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.175274 (E_RNA)
where:
Base-Base interactions energy: -17.296
where: short stacking energy: -13.841
Base-Backbone interact. energy: -0.165
local terms energy: -43.714204
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -0.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -60.594139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.594139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.594139 (E_RNA)
where:
Base-Base interactions energy: -17.037
where: short stacking energy: -11.964
Base-Backbone interact. energy: -0.036
local terms energy: -43.521423
where:
bonds (distance) C4'-P energy: -7.434
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -2.544
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -179.478675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.478675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.478675 (E_RNA)
where:
Base-Base interactions energy: -116.945
where: short stacking energy: -40.281
Base-Backbone interact. energy: -0.083
local terms energy: -62.450247
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -13.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -175.037327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.037327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.037327 (E_RNA)
where:
Base-Base interactions energy: -113.822
where: short stacking energy: -47.827
Base-Backbone interact. energy: -0.072
local terms energy: -61.143017
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -17.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -169.149549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.149549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.149549 (E_RNA)
where:
Base-Base interactions energy: -106.188
where: short stacking energy: -37.848
Base-Backbone interact. energy: -0.720
local terms energy: -62.240765
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -169.290432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.290432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.290432 (E_RNA)
where:
Base-Base interactions energy: -105.622
where: short stacking energy: -40.417
Base-Backbone interact. energy: -0.010
local terms energy: -63.658258
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -6.492
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: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -170.136036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.136036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.136036 (E_RNA)
where:
Base-Base interactions energy: -111.269
where: short stacking energy: -43.659
Base-Backbone interact. energy: -0.002
local terms energy: -58.864732
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -5.987
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: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -65.710125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.710125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.710125 (E_RNA)
where:
Base-Base interactions energy: -18.852
where: short stacking energy: -18.492
Base-Backbone interact. energy: -0.018
local terms energy: -46.840114
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -6.207
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: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -76.566875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.566875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.566875 (E_RNA)
where:
Base-Base interactions energy: -27.655
where: short stacking energy: -18.364
Base-Backbone interact. energy: -0.195
local terms energy: -48.716895
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -7.719
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -6.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -57.570415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.570415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.570415 (E_RNA)
where:
Base-Base interactions energy: -18.024
where: short stacking energy: -17.799
Base-Backbone interact. energy: -0.376
local terms energy: -39.169692
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -6.928
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -1.567
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: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -71.922530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.922530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.922530 (E_RNA)
where:
Base-Base interactions energy: -33.297
where: short stacking energy: -16.383
Base-Backbone interact. energy: 0.450
local terms energy: -39.075661
where:
bonds (distance) C4'-P energy: -7.770
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -9.546
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -54.096732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.096732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.096732 (E_RNA)
where:
Base-Base interactions energy: -13.603
where: short stacking energy: -11.349
Base-Backbone interact. energy: -0.148
local terms energy: -40.345686
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: 0.362
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: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -177.188865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.188865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.188865 (E_RNA)
where:
Base-Base interactions energy: -112.275
where: short stacking energy: -46.523
Base-Backbone interact. energy: 0.537
local terms energy: -65.450913
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -16.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -175.036696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.036696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.036696 (E_RNA)
where:
Base-Base interactions energy: -112.325
where: short stacking energy: -44.333
Base-Backbone interact. energy: -0.005
local terms energy: -62.707372
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -10.209
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: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -177.402679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.402679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.402679 (E_RNA)
where:
Base-Base interactions energy: -116.053
where: short stacking energy: -43.757
Base-Backbone interact. energy: -0.421
local terms energy: -60.928702
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -9.724
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: 4, replica: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -174.127966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.127966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.127966 (E_RNA)
where:
Base-Base interactions energy: -118.702
where: short stacking energy: -48.639
Base-Backbone interact. energy: -0.007
local terms energy: -55.419326
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -13.993
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: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -172.957453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.957453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.957453 (E_RNA)
where:
Base-Base interactions energy: -111.983
where: short stacking energy: -43.048
Base-Backbone interact. energy: -0.060
local terms energy: -60.913489
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -105.743238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.743238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.743238 (E_RNA)
where:
Base-Base interactions energy: -59.517
where: short stacking energy: -18.998
Base-Backbone interact. energy: -0.232
local terms energy: -45.993764
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -68.913628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.913628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.913628 (E_RNA)
where:
Base-Base interactions energy: -28.308
where: short stacking energy: -19.326
Base-Backbone interact. energy: -0.159
local terms energy: -40.446626
where:
bonds (distance) C4'-P energy: -10.734
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -8.140
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: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -62.364549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.364549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.364549 (E_RNA)
where:
Base-Base interactions energy: -19.825
where: short stacking energy: -19.825
Base-Backbone interact. energy: -0.119
local terms energy: -42.419783
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -59.072175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.072175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.072175 (E_RNA)
where:
Base-Base interactions energy: -16.539
where: short stacking energy: -16.079
Base-Backbone interact. energy: -0.003
local terms energy: -42.530306
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -9.020
flat angles C4'-P-C4' energy: -7.541
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -6.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -64.655924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.655924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.655924 (E_RNA)
where:
Base-Base interactions energy: -24.034
where: short stacking energy: -13.910
Base-Backbone interact. energy: -0.109
local terms energy: -40.512557
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: 5.477
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: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -180.347321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.347321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.347321 (E_RNA)
where:
Base-Base interactions energy: -115.365
where: short stacking energy: -47.251
Base-Backbone interact. energy: 0.185
local terms energy: -65.166877
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -179.382879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.382879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.382879 (E_RNA)
where:
Base-Base interactions energy: -115.267
where: short stacking energy: -43.346
Base-Backbone interact. energy: -0.003
local terms energy: -64.112812
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -18.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -177.159221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.159221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.159221 (E_RNA)
where:
Base-Base interactions energy: -112.840
where: short stacking energy: -44.809
Base-Backbone interact. energy: 2.044
local terms energy: -66.362925
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -171.735467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.735467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.735467 (E_RNA)
where:
Base-Base interactions energy: -110.599
where: short stacking energy: -45.267
Base-Backbone interact. energy: 1.098
local terms energy: -62.234759
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -11.531
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: 5, replica: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -155.611750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.611750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.611750 (E_RNA)
where:
Base-Base interactions energy: -100.897
where: short stacking energy: -35.264
Base-Backbone interact. energy: -0.181
local terms energy: -54.533415
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -11.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -125.729229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.729229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.729229 (E_RNA)
where:
Base-Base interactions energy: -78.810
where: short stacking energy: -29.614
Base-Backbone interact. energy: -0.203
local terms energy: -46.716693
where:
bonds (distance) C4'-P energy: -8.717
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -6.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -107.781846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.781846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.781846 (E_RNA)
where:
Base-Base interactions energy: -66.027
where: short stacking energy: -32.543
Base-Backbone interact. energy: -0.588
local terms energy: -41.167337
where:
bonds (distance) C4'-P energy: -9.414
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -3.687
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -63.606038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.606038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.606038 (E_RNA)
where:
Base-Base interactions energy: -32.110
where: short stacking energy: -15.724
Base-Backbone interact. energy: -1.164
local terms energy: -30.332669
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -5.939
flat angles C4'-P-C4' energy: -9.075
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: 2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -61.673781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.673781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.673781 (E_RNA)
where:
Base-Base interactions energy: -18.960
where: short stacking energy: -8.281
Base-Backbone interact. energy: 0.973
local terms energy: -43.687678
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: 3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -57.039357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.039357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.039357 (E_RNA)
where:
Base-Base interactions energy: -22.903
where: short stacking energy: -18.349
Base-Backbone interact. energy: -0.241
local terms energy: -33.895122
where:
bonds (distance) C4'-P energy: -8.163
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -3.546
tors. eta vs tors. theta energy: -1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -174.427741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.427741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.427741 (E_RNA)
where:
Base-Base interactions energy: -114.885
where: short stacking energy: -43.929
Base-Backbone interact. energy: -0.028
local terms energy: -59.515029
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -8.531
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: 2, replica: 6
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -178.378929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.378929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.378929 (E_RNA)
where:
Base-Base interactions energy: -114.708
where: short stacking energy: -39.722
Base-Backbone interact. energy: -0.093
local terms energy: -63.578310
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -8.441
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: 3, replica: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -174.561270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.561270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.561270 (E_RNA)
where:
Base-Base interactions energy: -116.777
where: short stacking energy: -38.595
Base-Backbone interact. energy: -0.064
local terms energy: -57.719974
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -9.609
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: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -169.536352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.536352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.536352 (E_RNA)
where:
Base-Base interactions energy: -112.176
where: short stacking energy: -46.715
Base-Backbone interact. energy: -0.221
local terms energy: -57.139326
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -155.023067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.023067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.023067 (E_RNA)
where:
Base-Base interactions energy: -104.547
where: short stacking energy: -36.723
Base-Backbone interact. energy: -0.104
local terms energy: -50.371160
where:
bonds (distance) C4'-P energy: -5.844
bonds (distance) P-C4' energy: -9.291
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -6.949
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: 6, replica: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -142.325543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.325543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.325543 (E_RNA)
where:
Base-Base interactions energy: -93.021
where: short stacking energy: -32.111
Base-Backbone interact. energy: 0.845
local terms energy: -50.149594
where:
bonds (distance) C4'-P energy: -9.214
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -6.754
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: 7, replica: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -61.534372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.534372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.534372 (E_RNA)
where:
Base-Base interactions energy: -20.508
where: short stacking energy: -13.186
Base-Backbone interact. energy: -0.366
local terms energy: -40.660608
where:
bonds (distance) C4'-P energy: -8.233
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: 0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -62.800115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.800115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.800115 (E_RNA)
where:
Base-Base interactions energy: -24.073
where: short stacking energy: -10.750
Base-Backbone interact. energy: 1.083
local terms energy: -39.809673
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -9.058
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: 2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -72.298188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.298188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.298188 (E_RNA)
where:
Base-Base interactions energy: -35.519
where: short stacking energy: -11.423
Base-Backbone interact. energy: -0.057
local terms energy: -36.722475
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -10.557
flat angles P-C4'-P energy: -4.793
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: 10, replica: 3
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -60.407747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.407747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.407747 (E_RNA)
where:
Base-Base interactions energy: -24.733
where: short stacking energy: -5.278
Base-Backbone interact. energy: -0.197
local terms energy: -35.478364
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -4.317
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: 1, replica: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -179.989244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.989244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.989244 (E_RNA)
where:
Base-Base interactions energy: -118.431
where: short stacking energy: -51.256
Base-Backbone interact. energy: -0.075
local terms energy: -61.483265
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -7.613
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: 2, replica: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -177.854279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.854279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.854279 (E_RNA)
where:
Base-Base interactions energy: -119.913
where: short stacking energy: -47.412
Base-Backbone interact. energy: -0.649
local terms energy: -57.292831
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -9.129
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -17.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -180.375791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.375791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.375791 (E_RNA)
where:
Base-Base interactions energy: -121.334
where: short stacking energy: -51.622
Base-Backbone interact. energy: -0.005
local terms energy: -59.037399
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -168.717790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.717790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.717790 (E_RNA)
where:
Base-Base interactions energy: -108.603
where: short stacking energy: -40.586
Base-Backbone interact. energy: -0.033
local terms energy: -60.082347
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -11.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -163.672850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.672850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.672850 (E_RNA)
where:
Base-Base interactions energy: -104.608
where: short stacking energy: -37.572
Base-Backbone interact. energy: -0.356
local terms energy: -58.708500
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -169.257903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.257903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.257903 (E_RNA)
where:
Base-Base interactions energy: -117.776
where: short stacking energy: -48.802
Base-Backbone interact. energy: -0.003
local terms energy: -51.479006
where:
bonds (distance) C4'-P energy: -8.069
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: -12.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -65.979052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.979052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.979052 (E_RNA)
where:
Base-Base interactions energy: -25.209
where: short stacking energy: -18.616
Base-Backbone interact. energy: -0.001
local terms energy: -40.768894
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -9.368
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -65.959853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.959853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.959853 (E_RNA)
where:
Base-Base interactions energy: -22.350
where: short stacking energy: -11.571
Base-Backbone interact. energy: -0.219
local terms energy: -43.391574
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -8.280
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: 9, replica: 3
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -65.707003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.707003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.707003 (E_RNA)
where:
Base-Base interactions energy: -23.156
where: short stacking energy: -23.156
Base-Backbone interact. energy: -0.008
local terms energy: -42.543096
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -5.701
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -55.222394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.222394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.222394 (E_RNA)
where:
Base-Base interactions energy: -18.347
where: short stacking energy: -18.347
Base-Backbone interact. energy: -1.195
local terms energy: -35.681326
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -4.295
flat angles P-C4'-P energy: -7.179
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: 1, replica: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -182.660036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.660036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.660036 (E_RNA)
where:
Base-Base interactions energy: -122.441
where: short stacking energy: -49.303
Base-Backbone interact. energy: -0.035
local terms energy: -60.183312
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -9.250
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -14.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -180.350123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.350123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.350123 (E_RNA)
where:
Base-Base interactions energy: -117.273
where: short stacking energy: -45.604
Base-Backbone interact. energy: -0.000
local terms energy: -63.077190
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -173.905493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.905493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.905493 (E_RNA)
where:
Base-Base interactions energy: -110.444
where: short stacking energy: -42.359
Base-Backbone interact. energy: -0.238
local terms energy: -63.223645
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -169.255853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.255853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.255853 (E_RNA)
where:
Base-Base interactions energy: -120.038
where: short stacking energy: -49.084
Base-Backbone interact. energy: -0.014
local terms energy: -49.204097
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -3.379
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -15.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -173.333532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.333532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.333532 (E_RNA)
where:
Base-Base interactions energy: -110.708
where: short stacking energy: -42.679
Base-Backbone interact. energy: -1.231
local terms energy: -61.394482
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -12.947
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: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -156.831380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.831380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.831380 (E_RNA)
where:
Base-Base interactions energy: -107.883
where: short stacking energy: -38.995
Base-Backbone interact. energy: -0.059
local terms energy: -48.888791
where:
bonds (distance) C4'-P energy: -8.743
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -12.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -66.145418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.145418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.145418 (E_RNA)
where:
Base-Base interactions energy: -25.446
where: short stacking energy: -18.746
Base-Backbone interact. energy: -0.017
local terms energy: -40.682674
where:
bonds (distance) C4'-P energy: -8.634
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -5.352
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: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -72.859714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.859714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.859714 (E_RNA)
where:
Base-Base interactions energy: -32.037
where: short stacking energy: -16.217
Base-Backbone interact. energy: -0.076
local terms energy: -40.746907
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -7.684
flat angles P-C4'-P energy: -6.088
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: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -62.091225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.091225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.091225 (E_RNA)
where:
Base-Base interactions energy: -22.442
where: short stacking energy: -11.977
Base-Backbone interact. energy: -0.353
local terms energy: -39.296269
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -9.591
flat angles P-C4'-P energy: -8.263
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: 219
Temperature: 1.350000
Total energy: -68.281097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.281097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.281097 (E_RNA)
where:
Base-Base interactions energy: -25.537
where: short stacking energy: -25.056
Base-Backbone interact. energy: 0.214
local terms energy: -42.957954
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -10.367
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -4.095
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -184.806775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.806775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.806775 (E_RNA)
where:
Base-Base interactions energy: -122.715
where: short stacking energy: -43.414
Base-Backbone interact. energy: -0.336
local terms energy: -61.755522
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -174.696318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.696318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.696318 (E_RNA)
where:
Base-Base interactions energy: -114.537
where: short stacking energy: -45.999
Base-Backbone interact. energy: -0.004
local terms energy: -60.155591
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -10.539
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: 3, replica: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -177.218304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.218304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.218304 (E_RNA)
where:
Base-Base interactions energy: -110.226
where: short stacking energy: -44.446
Base-Backbone interact. energy: -0.976
local terms energy: -66.016349
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -167.699820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.699820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.699820 (E_RNA)
where:
Base-Base interactions energy: -111.178
where: short stacking energy: -38.913
Base-Backbone interact. energy: -0.108
local terms energy: -56.413520
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -14.410
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: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -164.427404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.427404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.427404 (E_RNA)
where:
Base-Base interactions energy: -106.649
where: short stacking energy: -40.876
Base-Backbone interact. energy: -0.001
local terms energy: -57.776815
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -12.036
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: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -167.831637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.831637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.831637 (E_RNA)
where:
Base-Base interactions energy: -111.505
where: short stacking energy: -44.504
Base-Backbone interact. energy: -1.252
local terms energy: -55.074157
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -9.783
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -13.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -67.923480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.923480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.923480 (E_RNA)
where:
Base-Base interactions energy: -21.518
where: short stacking energy: -21.442
Base-Backbone interact. energy: -1.433
local terms energy: -44.971835
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -7.796
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -3.099
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: 9
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -67.681549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.681549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.681549 (E_RNA)
where:
Base-Base interactions energy: -36.316
where: short stacking energy: -3.056
Base-Backbone interact. energy: 0.257
local terms energy: -31.623055
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -8.646
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: 8.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -58.657002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.657002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.657002 (E_RNA)
where:
Base-Base interactions energy: -16.670
where: short stacking energy: -16.670
Base-Backbone interact. energy: -0.067
local terms energy: -41.920500
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -8.484
flat angles P-C4'-P energy: -6.281
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: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -60.622952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.622952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.622952 (E_RNA)
where:
Base-Base interactions energy: -17.415
where: short stacking energy: -17.415
Base-Backbone interact. energy: -0.020
local terms energy: -43.188681
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -2.140
tors. eta vs tors. theta energy: -1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -183.922835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.922835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.922835 (E_RNA)
where:
Base-Base interactions energy: -119.770
where: short stacking energy: -49.372
Base-Backbone interact. energy: -0.001
local terms energy: -64.151793
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -179.111312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.111312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.111312 (E_RNA)
where:
Base-Base interactions energy: -112.674
where: short stacking energy: -47.311
Base-Backbone interact. energy: -0.005
local terms energy: -66.432393
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -175.171614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.171614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.171614 (E_RNA)
where:
Base-Base interactions energy: -111.064
where: short stacking energy: -46.266
Base-Backbone interact. energy: -1.068
local terms energy: -63.039911
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -175.381347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.381347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.381347 (E_RNA)
where:
Base-Base interactions energy: -108.301
where: short stacking energy: -43.497
Base-Backbone interact. energy: -0.985
local terms energy: -66.095275
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -18.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -166.195879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.195879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.195879 (E_RNA)
where:
Base-Base interactions energy: -106.770
where: short stacking energy: -44.298
Base-Backbone interact. energy: -0.204
local terms energy: -59.222149
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -13.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -154.334855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.334855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.334855 (E_RNA)
where:
Base-Base interactions energy: -107.756
where: short stacking energy: -41.042
Base-Backbone interact. energy: -0.011
local terms energy: -46.567830
where:
bonds (distance) C4'-P energy: -3.935
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -7.496
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -13.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -66.877943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.877943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.877943 (E_RNA)
where:
Base-Base interactions energy: -18.202
where: short stacking energy: -18.984
Base-Backbone interact. energy: -0.015
local terms energy: -48.660326
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -5.488
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -62.798081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.798081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.798081 (E_RNA)
where:
Base-Base interactions energy: -17.858
where: short stacking energy: -17.858
Base-Backbone interact. energy: -0.188
local terms energy: -44.752275
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -76.637458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.637458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.637458 (E_RNA)
where:
Base-Base interactions energy: -42.448
where: short stacking energy: -20.678
Base-Backbone interact. energy: -0.178
local terms energy: -34.010849
where:
bonds (distance) C4'-P energy: -4.271
bonds (distance) P-C4' energy: -9.400
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -4.179
tors. eta vs tors. theta energy: -4.010
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: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -68.833083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.833083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.833083 (E_RNA)
where:
Base-Base interactions energy: -33.295
where: short stacking energy: -18.667
Base-Backbone interact. energy: -0.128
local terms energy: -35.409434
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -8.595
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -3.503
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -180.524829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.524829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.524829 (E_RNA)
where:
Base-Base interactions energy: -113.325
where: short stacking energy: -44.661
Base-Backbone interact. energy: -0.002
local terms energy: -67.197635
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -18.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -179.746355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.746355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.746355 (E_RNA)
where:
Base-Base interactions energy: -117.637
where: short stacking energy: -38.316
Base-Backbone interact. energy: -0.132
local terms energy: -61.977755
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -12.226
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: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -173.884805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.884805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.884805 (E_RNA)
where:
Base-Base interactions energy: -109.198
where: short stacking energy: -47.337
Base-Backbone interact. energy: -0.029
local terms energy: -64.658123
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -9.318
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: 6
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -180.022153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.022153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.022153 (E_RNA)
where:
Base-Base interactions energy: -120.168
where: short stacking energy: -42.512
Base-Backbone interact. energy: -0.063
local terms energy: -59.790585
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -7.129
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: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -157.049893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.049893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.049893 (E_RNA)
where:
Base-Base interactions energy: -103.074
where: short stacking energy: -39.685
Base-Backbone interact. energy: -0.148
local terms energy: -53.828149
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -10.266
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -11.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -165.360043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.360043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.360043 (E_RNA)
where:
Base-Base interactions energy: -108.994
where: short stacking energy: -43.964
Base-Backbone interact. energy: -0.017
local terms energy: -56.349564
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -5.174
tors. eta vs tors. theta energy: -15.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -69.976997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.976997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.976997 (E_RNA)
where:
Base-Base interactions energy: -33.846
where: short stacking energy: -16.998
Base-Backbone interact. energy: 1.073
local terms energy: -37.204198
where:
bonds (distance) C4'-P energy: -6.838
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -8.109
flat angles P-C4'-P energy: -6.725
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: 8, replica: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -65.724165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.724165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.724165 (E_RNA)
where:
Base-Base interactions energy: -33.410
where: short stacking energy: -16.092
Base-Backbone interact. energy: -0.198
local terms energy: -32.116671
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -9.763
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -0.800
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: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -62.198874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.198874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.198874 (E_RNA)
where:
Base-Base interactions energy: -20.497
where: short stacking energy: -13.956
Base-Backbone interact. energy: -0.979
local terms energy: -40.723010
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -4.942
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: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -56.122223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.122223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.122223 (E_RNA)
where:
Base-Base interactions energy: -17.645
where: short stacking energy: -6.278
Base-Backbone interact. energy: -0.435
local terms energy: -38.042280
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -8.330
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -5.633
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: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -176.779105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.779105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.779105 (E_RNA)
where:
Base-Base interactions energy: -116.085
where: short stacking energy: -44.722
Base-Backbone interact. energy: -0.624
local terms energy: -60.069596
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -10.446
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: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -180.431045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.431045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.431045 (E_RNA)
where:
Base-Base interactions energy: -113.873
where: short stacking energy: -44.973
Base-Backbone interact. energy: -0.036
local terms energy: -66.521634
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -16.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -172.213315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.213315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.213315 (E_RNA)
where:
Base-Base interactions energy: -116.760
where: short stacking energy: -45.846
Base-Backbone interact. energy: -0.052
local terms energy: -55.401147
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -173.616188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.616188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.616188 (E_RNA)
where:
Base-Base interactions energy: -115.242
where: short stacking energy: -42.079
Base-Backbone interact. energy: -0.066
local terms energy: -58.308720
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -8.732
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -14.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -157.138296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.138296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.138296 (E_RNA)
where:
Base-Base interactions energy: -109.142
where: short stacking energy: -40.354
Base-Backbone interact. energy: -0.039
local terms energy: -47.956869
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -8.427
flat angles P-C4'-P energy: -4.564
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: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -162.006274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.006274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.006274 (E_RNA)
where:
Base-Base interactions energy: -102.318
where: short stacking energy: -44.253
Base-Backbone interact. energy: -0.017
local terms energy: -59.671139
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -79.018132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.018132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.018132 (E_RNA)
where:
Base-Base interactions energy: -37.336
where: short stacking energy: -22.309
Base-Backbone interact. energy: -0.397
local terms energy: -41.285105
where:
bonds (distance) C4'-P energy: -6.337
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -77.117836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.117836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.117836 (E_RNA)
where:
Base-Base interactions energy: -41.283
where: short stacking energy: -20.545
Base-Backbone interact. energy: -0.078
local terms energy: -35.757060
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -5.335
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -2.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -63.772890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.772890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.772890 (E_RNA)
where:
Base-Base interactions energy: -22.295
where: short stacking energy: -11.570
Base-Backbone interact. energy: -0.534
local terms energy: -40.943334
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -9.723
flat angles P-C4'-P energy: -9.841
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: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -58.240885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.240885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.240885 (E_RNA)
where:
Base-Base interactions energy: -22.443
where: short stacking energy: -13.029
Base-Backbone interact. energy: -0.193
local terms energy: -35.605043
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -6.861
flat angles P-C4'-P energy: -6.818
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: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -179.644925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.644925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.644925 (E_RNA)
where:
Base-Base interactions energy: -121.451
where: short stacking energy: -42.616
Base-Backbone interact. energy: -0.102
local terms energy: -58.091879
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -5.304
tors. eta vs tors. theta energy: -15.397
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: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -181.672866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.672866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.672866 (E_RNA)
where:
Base-Base interactions energy: -118.304
where: short stacking energy: -47.224
Base-Backbone interact. energy: -1.185
local terms energy: -62.183186
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -8.377
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: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -164.986843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.986843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.986843 (E_RNA)
where:
Base-Base interactions energy: -111.321
where: short stacking energy: -41.960
Base-Backbone interact. energy: -0.140
local terms energy: -53.525731
where:
bonds (distance) C4'-P energy: -7.674
bonds (distance) P-C4' energy: -9.373
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -11.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -167.053317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.053317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.053317 (E_RNA)
where:
Base-Base interactions energy: -110.452
where: short stacking energy: -42.063
Base-Backbone interact. energy: -0.001
local terms energy: -56.600821
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -8.164
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -166.466344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.466344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.466344 (E_RNA)
where:
Base-Base interactions energy: -109.910
where: short stacking energy: -40.048
Base-Backbone interact. energy: -0.100
local terms energy: -56.456565
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -130.597893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.597893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.597893 (E_RNA)
where:
Base-Base interactions energy: -84.606
where: short stacking energy: -34.282
Base-Backbone interact. energy: -0.040
local terms energy: -45.951969
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -9.337
flat angles C4'-P-C4' energy: -10.934
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -7.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -68.918462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.918462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.918462 (E_RNA)
where:
Base-Base interactions energy: -21.105
where: short stacking energy: -21.105
Base-Backbone interact. energy: -0.003
local terms energy: -47.810436
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -9.987
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -5.600
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: 8, replica: 3
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -60.995839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.995839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.995839 (E_RNA)
where:
Base-Base interactions energy: -22.678
where: short stacking energy: -14.748
Base-Backbone interact. energy: -0.092
local terms energy: -38.225478
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -6.848
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: 0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -57.762263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.762263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.762263 (E_RNA)
where:
Base-Base interactions energy: -11.600
where: short stacking energy: -11.168
Base-Backbone interact. energy: -0.102
local terms energy: -46.060851
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -55.373320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.373320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.373320 (E_RNA)
where:
Base-Base interactions energy: -17.415
where: short stacking energy: -13.638
Base-Backbone interact. energy: -0.079
local terms energy: -37.878497
where:
bonds (distance) C4'-P energy: -9.695
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -6.990
flat angles P-C4'-P energy: -10.680
tors. eta vs tors. theta energy: 0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -182.732349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.732349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.732349 (E_RNA)
where:
Base-Base interactions energy: -124.480
where: short stacking energy: -41.848
Base-Backbone interact. energy: -0.247
local terms energy: -58.005021
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -10.208
flat angles P-C4'-P energy: -9.066
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: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -169.091209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.091209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.091209 (E_RNA)
where:
Base-Base interactions energy: -112.946
where: short stacking energy: -42.587
Base-Backbone interact. energy: -0.001
local terms energy: -56.143695
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -8.847
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -14.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -175.283979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.283979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.283979 (E_RNA)
where:
Base-Base interactions energy: -119.492
where: short stacking energy: -49.040
Base-Backbone interact. energy: -0.296
local terms energy: -55.495724
where:
bonds (distance) C4'-P energy: -6.904
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -171.416848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.416848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.416848 (E_RNA)
where:
Base-Base interactions energy: -110.604
where: short stacking energy: -43.043
Base-Backbone interact. energy: 0.052
local terms energy: -60.864781
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -13.849
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: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -170.428448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.428448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.428448 (E_RNA)
where:
Base-Base interactions energy: -108.413
where: short stacking energy: -35.897
Base-Backbone interact. energy: -0.050
local terms energy: -61.965276
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -132.407371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.407371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.407371 (E_RNA)
where:
Base-Base interactions energy: -76.301
where: short stacking energy: -29.554
Base-Backbone interact. energy: -0.097
local terms energy: -56.009236
where:
bonds (distance) C4'-P energy: -7.766
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -12.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -80.863536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.863536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.863536 (E_RNA)
where:
Base-Base interactions energy: -28.733
where: short stacking energy: -14.136
Base-Backbone interact. energy: 1.746
local terms energy: -53.876131
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -72.658718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.658718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.658718 (E_RNA)
where:
Base-Base interactions energy: -31.189
where: short stacking energy: -9.160
Base-Backbone interact. energy: -0.032
local terms energy: -41.437501
where:
bonds (distance) C4'-P energy: -6.842
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -9.054
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: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -66.564827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.564827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.564827 (E_RNA)
where:
Base-Base interactions energy: -28.999
where: short stacking energy: -13.018
Base-Backbone interact. energy: -0.198
local terms energy: -37.367573
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -7.605
flat angles P-C4'-P energy: -6.357
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: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -56.410313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.410313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.410313 (E_RNA)
where:
Base-Base interactions energy: -16.053
where: short stacking energy: -16.053
Base-Backbone interact. energy: -0.094
local terms energy: -40.263758
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -6.722
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -185.473307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.473307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.473307 (E_RNA)
where:
Base-Base interactions energy: -122.385
where: short stacking energy: -50.033
Base-Backbone interact. energy: -0.060
local terms energy: -63.027839
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -9.749
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: 2, replica: 5
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -179.146747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.146747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.146747 (E_RNA)
where:
Base-Base interactions energy: -117.049
where: short stacking energy: -42.790
Base-Backbone interact. energy: -0.110
local terms energy: -61.988341
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -171.595125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.595125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.595125 (E_RNA)
where:
Base-Base interactions energy: -110.415
where: short stacking energy: -49.393
Base-Backbone interact. energy: -0.291
local terms energy: -60.889003
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -173.096454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.096454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.096454 (E_RNA)
where:
Base-Base interactions energy: -116.976
where: short stacking energy: -42.052
Base-Backbone interact. energy: -0.107
local terms energy: -56.013322
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -174.875637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.875637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.875637 (E_RNA)
where:
Base-Base interactions energy: -119.165
where: short stacking energy: -43.723
Base-Backbone interact. energy: -0.090
local terms energy: -55.621243
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -9.965
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -15.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -143.458372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.458372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.458372 (E_RNA)
where:
Base-Base interactions energy: -91.485
where: short stacking energy: -36.659
Base-Backbone interact. energy: -0.001
local terms energy: -51.972440
where:
bonds (distance) C4'-P energy: -6.516
bonds (distance) P-C4' energy: -7.906
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -10.529
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: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -79.517764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.517764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.517764 (E_RNA)
where:
Base-Base interactions energy: -43.928
where: short stacking energy: -20.071
Base-Backbone interact. energy: -0.194
local terms energy: -35.395793
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -7.242
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -0.678
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: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -60.333155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.333155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.333155 (E_RNA)
where:
Base-Base interactions energy: -18.343
where: short stacking energy: -12.323
Base-Backbone interact. energy: -0.391
local terms energy: -41.598621
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -8.770
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: 10
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -63.342081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.342081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.342081 (E_RNA)
where:
Base-Base interactions energy: -25.428
where: short stacking energy: -15.704
Base-Backbone interact. energy: -0.060
local terms energy: -37.854219
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -10.035
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: 2.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -69.813240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.813240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.813240 (E_RNA)
where:
Base-Base interactions energy: -32.879
where: short stacking energy: -14.612
Base-Backbone interact. energy: -0.471
local terms energy: -36.463142
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -7.373
flat angles P-C4'-P energy: -2.013
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: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -179.443184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.443184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.443184 (E_RNA)
where:
Base-Base interactions energy: -110.450
where: short stacking energy: -46.028
Base-Backbone interact. energy: -0.078
local terms energy: -68.914825
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -176.605980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.605980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.605980 (E_RNA)
where:
Base-Base interactions energy: -116.442
where: short stacking energy: -46.605
Base-Backbone interact. energy: -0.001
local terms energy: -60.162370
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -5.016
tors. eta vs tors. theta energy: -17.736
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: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -176.317167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.317167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.317167 (E_RNA)
where:
Base-Base interactions energy: -112.380
where: short stacking energy: -43.773
Base-Backbone interact. energy: -0.001
local terms energy: -63.936380
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -15.623
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: 4, replica: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -179.043477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.043477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.043477 (E_RNA)
where:
Base-Base interactions energy: -116.580
where: short stacking energy: -46.266
Base-Backbone interact. energy: -0.389
local terms energy: -62.074231
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -8.044
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: 5, replica: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -174.192938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.192938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.192938 (E_RNA)
where:
Base-Base interactions energy: -114.475
where: short stacking energy: -49.650
Base-Backbone interact. energy: -0.015
local terms energy: -59.702675
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -9.821
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -110.239687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.239687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.239687 (E_RNA)
where:
Base-Base interactions energy: -68.469
where: short stacking energy: -24.266
Base-Backbone interact. energy: -0.490
local terms energy: -41.281329
where:
bonds (distance) C4'-P energy: -8.055
bonds (distance) P-C4' energy: -12.051
flat angles C4'-P-C4' energy: -8.410
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -6.747
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: 7, replica: 1
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -125.579562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.579562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.579562 (E_RNA)
where:
Base-Base interactions energy: -76.959
where: short stacking energy: -28.584
Base-Backbone interact. energy: 1.172
local terms energy: -49.792531
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -7.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -60.743609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.743609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.743609 (E_RNA)
where:
Base-Base interactions energy: -18.234
where: short stacking energy: -18.234
Base-Backbone interact. energy: -0.301
local terms energy: -42.208398
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -4.470
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: 9, replica: 10
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -69.684680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.684680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.684680 (E_RNA)
where:
Base-Base interactions energy: -34.945
where: short stacking energy: -11.487
Base-Backbone interact. energy: 0.119
local terms energy: -34.858653
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -7.676
flat angles P-C4'-P energy: -3.959
tors. eta vs tors. theta energy: 2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -57.605685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.605685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.605685 (E_RNA)
where:
Base-Base interactions energy: -26.730
where: short stacking energy: -7.123
Base-Backbone interact. energy: -0.195
local terms energy: -30.681083
where:
bonds (distance) C4'-P energy: -5.625
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -4.307
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -180.339035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.339035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.339035 (E_RNA)
where:
Base-Base interactions energy: -114.838
where: short stacking energy: -44.680
Base-Backbone interact. energy: -0.117
local terms energy: -65.384529
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -177.456348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.456348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.456348 (E_RNA)
where:
Base-Base interactions energy: -114.346
where: short stacking energy: -44.845
Base-Backbone interact. energy: -0.123
local terms energy: -62.987412
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -173.016497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.016497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.016497 (E_RNA)
where:
Base-Base interactions energy: -116.261
where: short stacking energy: -42.107
Base-Backbone interact. energy: -0.744
local terms energy: -56.011971
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -8.553
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: 228
Temperature: 1.050000
Total energy: -172.497923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.497923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.497923 (E_RNA)
where:
Base-Base interactions energy: -107.090
where: short stacking energy: -42.721
Base-Backbone interact. energy: -0.004
local terms energy: -65.404073
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -10.278
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: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -167.578601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.578601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.578601 (E_RNA)
where:
Base-Base interactions energy: -105.276
where: short stacking energy: -39.574
Base-Backbone interact. energy: -1.902
local terms energy: -60.399999
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -135.028482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.028482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.028482 (E_RNA)
where:
Base-Base interactions energy: -79.709
where: short stacking energy: -37.317
Base-Backbone interact. energy: -0.043
local terms energy: -55.276699
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -10.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -63.356134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.356134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.356134 (E_RNA)
where:
Base-Base interactions energy: -23.184
where: short stacking energy: -8.372
Base-Backbone interact. energy: -0.129
local terms energy: -40.043427
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: 2.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -125.032770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.032770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.032770 (E_RNA)
where:
Base-Base interactions energy: -78.319
where: short stacking energy: -30.432
Base-Backbone interact. energy: -0.359
local terms energy: -46.354784
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -3.515
tors. eta vs tors. theta energy: -8.178
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: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -62.079767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.079767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.079767 (E_RNA)
where:
Base-Base interactions energy: -18.092
where: short stacking energy: -15.525
Base-Backbone interact. energy: -0.242
local terms energy: -43.746062
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -6.791
flat angles P-C4'-P energy: -12.191
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: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -58.215156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.215156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.215156 (E_RNA)
where:
Base-Base interactions energy: -22.689
where: short stacking energy: -18.015
Base-Backbone interact. energy: -0.127
local terms energy: -35.398546
where:
bonds (distance) C4'-P energy: -9.065
bonds (distance) P-C4' energy: -7.989
flat angles C4'-P-C4' energy: -9.300
flat angles P-C4'-P energy: -6.360
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: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -182.281874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.281874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.281874 (E_RNA)
where:
Base-Base interactions energy: -116.427
where: short stacking energy: -45.933
Base-Backbone interact. energy: -0.006
local terms energy: -65.848897
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -9.830
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -179.174043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.174043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.174043 (E_RNA)
where:
Base-Base interactions energy: -116.196
where: short stacking energy: -45.201
Base-Backbone interact. energy: -0.040
local terms energy: -62.938270
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -9.606
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: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -176.571071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.571071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.571071 (E_RNA)
where:
Base-Base interactions energy: -113.046
where: short stacking energy: -44.425
Base-Backbone interact. energy: -0.713
local terms energy: -62.811468
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -8.407
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: 4, replica: 6
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -163.242354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.242354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.242354 (E_RNA)
where:
Base-Base interactions energy: -105.044
where: short stacking energy: -37.357
Base-Backbone interact. energy: -0.080
local terms energy: -58.118766
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -6.002
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: 5, replica: 5
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -169.591850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.591850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.591850 (E_RNA)
where:
Base-Base interactions energy: -113.530
where: short stacking energy: -42.655
Base-Backbone interact. energy: -0.022
local terms energy: -56.040483
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -13.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -132.959840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.959840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.959840 (E_RNA)
where:
Base-Base interactions energy: -80.079
where: short stacking energy: -33.296
Base-Backbone interact. energy: -0.160
local terms energy: -52.720760
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -10.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -60.687976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.687976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.687976 (E_RNA)
where:
Base-Base interactions energy: -24.713
where: short stacking energy: -18.724
Base-Backbone interact. energy: -0.022
local terms energy: -35.953337
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -3.620
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: 8, replica: 3
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -64.274923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.274923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.274923 (E_RNA)
where:
Base-Base interactions energy: -16.848
where: short stacking energy: -8.642
Base-Backbone interact. energy: -0.187
local terms energy: -47.239469
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -0.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -67.675030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.675030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.675030 (E_RNA)
where:
Base-Base interactions energy: -38.196
where: short stacking energy: -11.822
Base-Backbone interact. energy: -0.670
local terms energy: -28.808941
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -1.386
flat angles C4'-P-C4' energy: -8.243
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: 0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -67.970157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.970157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.970157 (E_RNA)
where:
Base-Base interactions energy: -21.842
where: short stacking energy: -19.187
Base-Backbone interact. energy: -0.104
local terms energy: -46.024515
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -7.837
flat angles P-C4'-P energy: -5.333
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: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -183.738107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.738107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.738107 (E_RNA)
where:
Base-Base interactions energy: -118.639
where: short stacking energy: -43.781
Base-Backbone interact. energy: -0.004
local terms energy: -65.095344
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -17.689
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: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -184.334635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.334635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.334635 (E_RNA)
where:
Base-Base interactions energy: -118.532
where: short stacking energy: -48.075
Base-Backbone interact. energy: -0.077
local terms energy: -65.724918
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -16.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -174.283246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.283246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.283246 (E_RNA)
where:
Base-Base interactions energy: -110.255
where: short stacking energy: -45.107
Base-Backbone interact. energy: -0.009
local terms energy: -64.018502
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -16.316
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: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -172.819691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.819691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.819691 (E_RNA)
where:
Base-Base interactions energy: -115.652
where: short stacking energy: -48.065
Base-Backbone interact. energy: -0.008
local terms energy: -57.159680
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -153.806015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.806015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.806015 (E_RNA)
where:
Base-Base interactions energy: -95.902
where: short stacking energy: -29.822
Base-Backbone interact. energy: -0.066
local terms energy: -57.837872
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -10.736
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: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -148.276530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.276530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.276530 (E_RNA)
where:
Base-Base interactions energy: -92.799
where: short stacking energy: -34.686
Base-Backbone interact. energy: -0.574
local terms energy: -54.903397
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -7.088
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: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -66.767076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.767076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.767076 (E_RNA)
where:
Base-Base interactions energy: -34.035
where: short stacking energy: -11.463
Base-Backbone interact. energy: -0.423
local terms energy: -32.308499
where:
bonds (distance) C4'-P energy: -7.367
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -4.209
tors. eta vs tors. theta energy: 4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -66.218020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.218020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.218020 (E_RNA)
where:
Base-Base interactions energy: -26.209
where: short stacking energy: -14.520
Base-Backbone interact. energy: 0.398
local terms energy: -40.406747
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -7.150
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: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -58.394031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.394031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.394031 (E_RNA)
where:
Base-Base interactions energy: -15.698
where: short stacking energy: -13.455
Base-Backbone interact. energy: -0.552
local terms energy: -42.144486
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -6.615
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: 10, replica: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -71.706647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.706647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.706647 (E_RNA)
where:
Base-Base interactions energy: -34.529
where: short stacking energy: -9.029
Base-Backbone interact. energy: -0.093
local terms energy: -37.085011
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -7.725
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: 2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -183.043639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.043639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.043639 (E_RNA)
where:
Base-Base interactions energy: -120.538
where: short stacking energy: -44.888
Base-Backbone interact. energy: -0.050
local terms energy: -62.455315
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -179.873453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.873453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.873453 (E_RNA)
where:
Base-Base interactions energy: -116.521
where: short stacking energy: -48.182
Base-Backbone interact. energy: -0.047
local terms energy: -63.305795
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -162.722359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.722359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.722359 (E_RNA)
where:
Base-Base interactions energy: -110.109
where: short stacking energy: -41.286
Base-Backbone interact. energy: -0.028
local terms energy: -52.585034
where:
bonds (distance) C4'-P energy: -8.428
bonds (distance) P-C4' energy: -10.043
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -14.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -165.997864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.997864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.997864 (E_RNA)
where:
Base-Base interactions energy: -104.965
where: short stacking energy: -38.114
Base-Backbone interact. energy: -0.082
local terms energy: -60.950678
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -163.277861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.277861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.277861 (E_RNA)
where:
Base-Base interactions energy: -103.145
where: short stacking energy: -40.654
Base-Backbone interact. energy: 0.390
local terms energy: -60.522702
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -11.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -150.856517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.856517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.856517 (E_RNA)
where:
Base-Base interactions energy: -97.899
where: short stacking energy: -31.150
Base-Backbone interact. energy: 1.020
local terms energy: -53.977682
where:
bonds (distance) C4'-P energy: -8.357
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -10.044
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: 231
Temperature: 1.200000
Total energy: -75.615539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.615539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.615539 (E_RNA)
where:
Base-Base interactions energy: -35.039
where: short stacking energy: -16.681
Base-Backbone interact. energy: -0.144
local terms energy: -40.432589
where:
bonds (distance) C4'-P energy: -11.198
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -8.271
flat angles P-C4'-P energy: -7.846
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: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -65.191210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.191210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.191210 (E_RNA)
where:
Base-Base interactions energy: -21.227
where: short stacking energy: -21.227
Base-Backbone interact. energy: -0.098
local terms energy: -43.866142
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -8.886
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -9.863
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: 9, replica: 4
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -59.967234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.967234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.967234 (E_RNA)
where:
Base-Base interactions energy: -26.490
where: short stacking energy: -13.643
Base-Backbone interact. energy: 0.181
local terms energy: -33.658558
where:
bonds (distance) C4'-P energy: -8.389
bonds (distance) P-C4' energy: -10.766
flat angles C4'-P-C4' energy: -7.808
flat angles P-C4'-P energy: -6.045
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: 10, replica: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -68.390099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.390099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.390099 (E_RNA)
where:
Base-Base interactions energy: -23.088
where: short stacking energy: -17.821
Base-Backbone interact. energy: -1.741
local terms energy: -43.561769
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: 1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -181.374403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.374403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.374403 (E_RNA)
where:
Base-Base interactions energy: -115.088
where: short stacking energy: -48.224
Base-Backbone interact. energy: -0.394
local terms energy: -65.892002
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -14.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -176.590644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.590644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.590644 (E_RNA)
where:
Base-Base interactions energy: -119.081
where: short stacking energy: -42.637
Base-Backbone interact. energy: -0.065
local terms energy: -57.444278
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: -18.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -175.275519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.275519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.275519 (E_RNA)
where:
Base-Base interactions energy: -112.660
where: short stacking energy: -46.417
Base-Backbone interact. energy: -0.013
local terms energy: -62.602876
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -158.697720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.697720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.697720 (E_RNA)
where:
Base-Base interactions energy: -96.312
where: short stacking energy: -36.588
Base-Backbone interact. energy: -0.115
local terms energy: -62.271520
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -14.021
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: 5, replica: 9
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -168.661138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.661138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.661138 (E_RNA)
where:
Base-Base interactions energy: -113.765
where: short stacking energy: -45.939
Base-Backbone interact. energy: -0.003
local terms energy: -54.892614
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -155.946303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.946303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.946303 (E_RNA)
where:
Base-Base interactions energy: -102.196
where: short stacking energy: -39.231
Base-Backbone interact. energy: -0.188
local terms energy: -53.562106
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -10.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -66.507811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.507811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.507811 (E_RNA)
where:
Base-Base interactions energy: -28.880
where: short stacking energy: -19.995
Base-Backbone interact. energy: -1.137
local terms energy: -36.490471
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -7.838
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: 0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -71.454572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.454572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.454572 (E_RNA)
where:
Base-Base interactions energy: -18.017
where: short stacking energy: -18.017
Base-Backbone interact. energy: -0.007
local terms energy: -53.430667
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -6.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -71.549334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.549334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.549334 (E_RNA)
where:
Base-Base interactions energy: -28.099
where: short stacking energy: -11.564
Base-Backbone interact. energy: 0.421
local terms energy: -43.870798
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -7.872
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: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -55.194805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.194805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.194805 (E_RNA)
where:
Base-Base interactions energy: -12.513
where: short stacking energy: -8.763
Base-Backbone interact. energy: -0.243
local terms energy: -42.439242
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -7.757
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -184.572637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.572637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.572637 (E_RNA)
where:
Base-Base interactions energy: -120.103
where: short stacking energy: -48.823
Base-Backbone interact. energy: -0.637
local terms energy: -63.831927
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -11.105
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -173.070815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.070815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.070815 (E_RNA)
where:
Base-Base interactions energy: -110.354
where: short stacking energy: -46.904
Base-Backbone interact. energy: -0.004
local terms energy: -62.712265
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -6.642
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: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -172.213671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.213671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.213671 (E_RNA)
where:
Base-Base interactions energy: -112.672
where: short stacking energy: -37.221
Base-Backbone interact. energy: -0.001
local terms energy: -59.541187
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -15.204
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: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -163.308572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.308572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.308572 (E_RNA)
where:
Base-Base interactions energy: -105.959
where: short stacking energy: -41.234
Base-Backbone interact. energy: -0.023
local terms energy: -57.326370
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -14.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -134.405805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.405805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.405805 (E_RNA)
where:
Base-Base interactions energy: -90.439
where: short stacking energy: -33.829
Base-Backbone interact. energy: -0.100
local terms energy: -43.867283
where:
bonds (distance) C4'-P energy: -8.321
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -8.945
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -5.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -69.789158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.789158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.789158 (E_RNA)
where:
Base-Base interactions energy: -29.481
where: short stacking energy: -24.987
Base-Backbone interact. energy: -1.508
local terms energy: -38.799732
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -10.469
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -6.042
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: 7, replica: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -157.278896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.278896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.278896 (E_RNA)
where:
Base-Base interactions energy: -96.500
where: short stacking energy: -34.427
Base-Backbone interact. energy: -0.954
local terms energy: -59.825093
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -59.576458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.576458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.576458 (E_RNA)
where:
Base-Base interactions energy: -24.467
where: short stacking energy: -8.677
Base-Backbone interact. energy: -0.040
local terms energy: -35.070271
where:
bonds (distance) C4'-P energy: -8.117
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -7.698
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -61.778065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.778065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.778065 (E_RNA)
where:
Base-Base interactions energy: -26.224
where: short stacking energy: -11.895
Base-Backbone interact. energy: -0.463
local terms energy: -35.091589
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -9.955
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: 0.551
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: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -67.187381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.187381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.187381 (E_RNA)
where:
Base-Base interactions energy: -28.389
where: short stacking energy: -10.814
Base-Backbone interact. energy: -0.125
local terms energy: -38.673958
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -4.422
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: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -180.688048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.688048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.688048 (E_RNA)
where:
Base-Base interactions energy: -115.276
where: short stacking energy: -45.778
Base-Backbone interact. energy: -1.017
local terms energy: -64.394779
where:
bonds (distance) C4'-P energy: -13.384
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -9.399
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: 234
Temperature: 0.950000
Total energy: -175.594553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.594553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.594553 (E_RNA)
where:
Base-Base interactions energy: -113.060
where: short stacking energy: -42.238
Base-Backbone interact. energy: -0.042
local terms energy: -62.492417
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -175.503949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.503949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.503949 (E_RNA)
where:
Base-Base interactions energy: -109.956
where: short stacking energy: -45.218
Base-Backbone interact. energy: -0.052
local terms energy: -65.496033
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -164.893456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.893456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.893456 (E_RNA)
where:
Base-Base interactions energy: -106.570
where: short stacking energy: -36.891
Base-Backbone interact. energy: -0.054
local terms energy: -58.269991
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -11.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -165.769827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.769827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.769827 (E_RNA)
where:
Base-Base interactions energy: -113.459
where: short stacking energy: -39.777
Base-Backbone interact. energy: -0.062
local terms energy: -52.248869
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -6.738
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -5.156
tors. eta vs tors. theta energy: -16.290
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: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -88.335891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.335891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.335891 (E_RNA)
where:
Base-Base interactions energy: -48.655
where: short stacking energy: -18.677
Base-Backbone interact. energy: 0.279
local terms energy: -39.960124
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -142.301762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.301762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.301762 (E_RNA)
where:
Base-Base interactions energy: -94.617
where: short stacking energy: -28.290
Base-Backbone interact. energy: -0.194
local terms energy: -47.490147
where:
bonds (distance) C4'-P energy: -9.575
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: -6.112
tors. eta vs tors. theta energy: -9.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -66.090502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.090502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.090502 (E_RNA)
where:
Base-Base interactions energy: -25.050
where: short stacking energy: -12.352
Base-Backbone interact. energy: -0.353
local terms energy: -40.687321
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: 0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -69.205746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.205746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.205746 (E_RNA)
where:
Base-Base interactions energy: -21.822
where: short stacking energy: -19.172
Base-Backbone interact. energy: -0.083
local terms energy: -47.300718
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -4.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -70.625813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.625813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.625813 (E_RNA)
where:
Base-Base interactions energy: -33.994
where: short stacking energy: -8.793
Base-Backbone interact. energy: -0.273
local terms energy: -36.359276
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -10.209
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -3.030
tors. eta vs tors. theta energy: -1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -178.829251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.829251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.829251 (E_RNA)
where:
Base-Base interactions energy: -114.057
where: short stacking energy: -44.519
Base-Backbone interact. energy: -0.036
local terms energy: -64.736269
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -8.562
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: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -182.931102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.931102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.931102 (E_RNA)
where:
Base-Base interactions energy: -116.802
where: short stacking energy: -48.788
Base-Backbone interact. energy: -0.004
local terms energy: -66.124859
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -175.413514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.413514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.413514 (E_RNA)
where:
Base-Base interactions energy: -114.487
where: short stacking energy: -44.376
Base-Backbone interact. energy: -0.004
local terms energy: -60.923148
where:
bonds (distance) C4'-P energy: -8.499
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -168.567721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.567721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.567721 (E_RNA)
where:
Base-Base interactions energy: -115.837
where: short stacking energy: -41.916
Base-Backbone interact. energy: -0.234
local terms energy: -52.497029
where:
bonds (distance) C4'-P energy: -9.447
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -10.467
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: 5, replica: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -173.815648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.815648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.815648 (E_RNA)
where:
Base-Base interactions energy: -117.376
where: short stacking energy: -45.097
Base-Backbone interact. energy: -0.051
local terms energy: -56.388274
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -8.330
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -8.380
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: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -158.190675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.190675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.190675 (E_RNA)
where:
Base-Base interactions energy: -102.531
where: short stacking energy: -39.458
Base-Backbone interact. energy: -0.078
local terms energy: -55.581524
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -14.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -67.602742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.602742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.602742 (E_RNA)
where:
Base-Base interactions energy: -23.775
where: short stacking energy: -13.277
Base-Backbone interact. energy: -0.029
local terms energy: -43.799378
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -11.885
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -59.656724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.656724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.656724 (E_RNA)
where:
Base-Base interactions energy: -17.805
where: short stacking energy: -12.052
Base-Backbone interact. energy: -0.031
local terms energy: -41.820955
where:
bonds (distance) C4'-P energy: -8.615
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -3.654
tors. eta vs tors. theta energy: -0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -55.277096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.277096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.277096 (E_RNA)
where:
Base-Base interactions energy: -16.866
where: short stacking energy: -13.184
Base-Backbone interact. energy: -0.105
local terms energy: -38.306062
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -2.503
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: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -71.201285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.201285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.201285 (E_RNA)
where:
Base-Base interactions energy: -25.537
where: short stacking energy: -22.053
Base-Backbone interact. energy: -0.140
local terms energy: -45.524140
where:
bonds (distance) C4'-P energy: -9.955
bonds (distance) P-C4' energy: -15.347
flat angles C4'-P-C4' energy: -7.514
flat angles P-C4'-P energy: -10.012
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: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -184.924970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.924970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.924970 (E_RNA)
where:
Base-Base interactions energy: -120.225
where: short stacking energy: -49.102
Base-Backbone interact. energy: -0.026
local terms energy: -64.673133
where:
bonds (distance) C4'-P energy: -10.552
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -10.045
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: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -179.842021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.842021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.842021 (E_RNA)
where:
Base-Base interactions energy: -120.898
where: short stacking energy: -48.259
Base-Backbone interact. energy: -0.073
local terms energy: -58.870873
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -175.098228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.098228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.098228 (E_RNA)
where:
Base-Base interactions energy: -118.488
where: short stacking energy: -45.775
Base-Backbone interact. energy: -0.607
local terms energy: -56.002654
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -6.010
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: 7
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -165.449998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.449998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.449998 (E_RNA)
where:
Base-Base interactions energy: -101.889
where: short stacking energy: -42.372
Base-Backbone interact. energy: -0.072
local terms energy: -63.489158
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -166.608993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.608993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.608993 (E_RNA)
where:
Base-Base interactions energy: -108.524
where: short stacking energy: -40.904
Base-Backbone interact. energy: -0.132
local terms energy: -57.953035
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -141.998776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.998776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.998776 (E_RNA)
where:
Base-Base interactions energy: -95.885
where: short stacking energy: -34.289
Base-Backbone interact. energy: -0.021
local terms energy: -46.093239
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -7.489
flat angles P-C4'-P energy: -3.574
tors. eta vs tors. theta energy: -11.769
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: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -82.433640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.433640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.433640 (E_RNA)
where:
Base-Base interactions energy: -39.424
where: short stacking energy: -18.007
Base-Backbone interact. energy: -0.032
local terms energy: -42.978189
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -73.844430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.844430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.844430 (E_RNA)
where:
Base-Base interactions energy: -39.969
where: short stacking energy: -13.038
Base-Backbone interact. energy: -0.093
local terms energy: -33.783080
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -7.609
flat angles C4'-P-C4' energy: -8.049
flat angles P-C4'-P energy: -6.282
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: 9, replica: 4
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -64.322192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.322192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.322192 (E_RNA)
where:
Base-Base interactions energy: -29.179
where: short stacking energy: -17.110
Base-Backbone interact. energy: 1.342
local terms energy: -36.485460
where:
bonds (distance) C4'-P energy: -6.256
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -7.370
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: 10, replica: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -66.566816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.566816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.566816 (E_RNA)
where:
Base-Base interactions energy: -30.833
where: short stacking energy: -21.087
Base-Backbone interact. energy: -0.794
local terms energy: -34.940314
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -4.825
flat angles C4'-P-C4' energy: -7.196
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -2.661
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: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -181.927924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.927924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.927924 (E_RNA)
where:
Base-Base interactions energy: -119.351
where: short stacking energy: -45.276
Base-Backbone interact. energy: -0.005
local terms energy: -62.571581
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -16.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -175.929995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.929995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.929995 (E_RNA)
where:
Base-Base interactions energy: -116.007
where: short stacking energy: -50.227
Base-Backbone interact. energy: -0.060
local terms energy: -59.863168
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -15.138
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: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -170.545364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.545364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.545364 (E_RNA)
where:
Base-Base interactions energy: -119.953
where: short stacking energy: -34.732
Base-Backbone interact. energy: -0.773
local terms energy: -49.819513
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -4.747
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -12.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -174.714988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.714988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.714988 (E_RNA)
where:
Base-Base interactions energy: -118.118
where: short stacking energy: -42.974
Base-Backbone interact. energy: -0.027
local terms energy: -56.569389
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -7.731
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -17.993
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: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -169.191351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.191351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.191351 (E_RNA)
where:
Base-Base interactions energy: -115.154
where: short stacking energy: -43.319
Base-Backbone interact. energy: -0.007
local terms energy: -54.030491
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -14.511
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: 237
Temperature: 1.150000
Total energy: -102.659178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.659178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.659178 (E_RNA)
where:
Base-Base interactions energy: -56.355
where: short stacking energy: -21.828
Base-Backbone interact. energy: -0.105
local terms energy: -46.198805
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -9.472
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: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -71.354629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.354629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.354629 (E_RNA)
where:
Base-Base interactions energy: -30.691
where: short stacking energy: -21.985
Base-Backbone interact. energy: 0.541
local terms energy: -41.204809
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -6.017
flat angles P-C4'-P energy: -6.865
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: 8, replica: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -72.284977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.284977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.284977 (E_RNA)
where:
Base-Base interactions energy: -32.697
where: short stacking energy: -15.127
Base-Backbone interact. energy: -0.127
local terms energy: -39.460791
where:
bonds (distance) C4'-P energy: -7.885
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -7.593
flat angles P-C4'-P energy: -4.682
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: 9, replica: 3
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -69.100584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.100584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.100584 (E_RNA)
where:
Base-Base interactions energy: -30.894
where: short stacking energy: -13.164
Base-Backbone interact. energy: -0.159
local terms energy: -38.047113
where:
bonds (distance) C4'-P energy: -8.002
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -6.618
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -63.316668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.316668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.316668 (E_RNA)
where:
Base-Base interactions energy: -22.161
where: short stacking energy: -13.952
Base-Backbone interact. energy: -0.116
local terms energy: -41.039743
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -2.987
tors. eta vs tors. theta energy: -1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -182.913526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.913526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.913526 (E_RNA)
where:
Base-Base interactions energy: -118.641
where: short stacking energy: -49.429
Base-Backbone interact. energy: -0.060
local terms energy: -64.212105
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -174.467767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.467767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.467767 (E_RNA)
where:
Base-Base interactions energy: -113.297
where: short stacking energy: -46.063
Base-Backbone interact. energy: -1.463
local terms energy: -59.707888
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -16.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -173.336402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.336402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.336402 (E_RNA)
where:
Base-Base interactions energy: -109.312
where: short stacking energy: -41.302
Base-Backbone interact. energy: -0.041
local terms energy: -63.983756
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -170.846998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.846998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.846998 (E_RNA)
where:
Base-Base interactions energy: -116.339
where: short stacking energy: -39.016
Base-Backbone interact. energy: 0.160
local terms energy: -54.668001
where:
bonds (distance) C4'-P energy: -7.115
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -8.273
flat angles P-C4'-P energy: -11.066
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: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -166.936484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.936484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.936484 (E_RNA)
where:
Base-Base interactions energy: -115.349
where: short stacking energy: -35.758
Base-Backbone interact. energy: -0.150
local terms energy: -51.437626
where:
bonds (distance) C4'-P energy: -9.823
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -8.549
flat angles P-C4'-P energy: -6.610
tors. eta vs tors. theta energy: -14.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -90.645123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.645123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.645123 (E_RNA)
where:
Base-Base interactions energy: -42.988
where: short stacking energy: -26.609
Base-Backbone interact. energy: -0.686
local terms energy: -46.971059
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -7.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -62.384743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.384743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.384743 (E_RNA)
where:
Base-Base interactions energy: -13.556
where: short stacking energy: -13.556
Base-Backbone interact. energy: -0.112
local terms energy: -48.717246
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -2.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -66.481761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.481761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.481761 (E_RNA)
where:
Base-Base interactions energy: -32.576
where: short stacking energy: -11.165
Base-Backbone interact. energy: 1.554
local terms energy: -35.459658
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -6.643
flat angles P-C4'-P energy: -5.844
tors. eta vs tors. theta energy: -0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -63.506689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.506689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.506689 (E_RNA)
where:
Base-Base interactions energy: -18.611
where: short stacking energy: -18.611
Base-Backbone interact. energy: -0.008
local terms energy: -44.887522
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -62.323553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.323553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.323553 (E_RNA)
where:
Base-Base interactions energy: -24.193
where: short stacking energy: -12.556
Base-Backbone interact. energy: -0.233
local terms energy: -37.897760
where:
bonds (distance) C4'-P energy: -7.220
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -9.034
flat angles P-C4'-P energy: -5.668
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: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -183.559023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.559023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.559023 (E_RNA)
where:
Base-Base interactions energy: -118.502
where: short stacking energy: -49.645
Base-Backbone interact. energy: -0.005
local terms energy: -65.051713
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -173.750472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.750472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.750472 (E_RNA)
where:
Base-Base interactions energy: -113.657
where: short stacking energy: -48.889
Base-Backbone interact. energy: -0.354
local terms energy: -59.739637
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -14.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -173.020353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.020353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.020353 (E_RNA)
where:
Base-Base interactions energy: -112.778
where: short stacking energy: -44.795
Base-Backbone interact. energy: -0.004
local terms energy: -60.238173
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -5.197
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -169.528671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.528671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.528671 (E_RNA)
where:
Base-Base interactions energy: -115.796
where: short stacking energy: -41.954
Base-Backbone interact. energy: -0.105
local terms energy: -53.627906
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -9.952
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -135.816537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.816537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.816537 (E_RNA)
where:
Base-Base interactions energy: -80.561
where: short stacking energy: -30.480
Base-Backbone interact. energy: -0.078
local terms energy: -55.176759
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -3.737
tors. eta vs tors. theta energy: -12.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -72.851441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.851441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.851441 (E_RNA)
where:
Base-Base interactions energy: -40.801
where: short stacking energy: -13.281
Base-Backbone interact. energy: -0.246
local terms energy: -31.804169
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -0.668
tors. eta vs tors. theta energy: 3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -81.543662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.543662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.543662 (E_RNA)
where:
Base-Base interactions energy: -43.429
where: short stacking energy: -25.003
Base-Backbone interact. energy: -0.177
local terms energy: -37.938263
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -4.425
tors. eta vs tors. theta energy: -2.747
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: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -74.127352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.127352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.127352 (E_RNA)
where:
Base-Base interactions energy: -28.242
where: short stacking energy: -22.236
Base-Backbone interact. energy: -0.045
local terms energy: -45.840120
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -4.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -61.580619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.580619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.580619 (E_RNA)
where:
Base-Base interactions energy: -17.863
where: short stacking energy: -16.552
Base-Backbone interact. energy: -0.144
local terms energy: -43.573220
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -7.964
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -8.404
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: 3
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -60.983924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.983924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.983924 (E_RNA)
where:
Base-Base interactions energy: -17.819
where: short stacking energy: -6.153
Base-Backbone interact. energy: -0.983
local terms energy: -42.181845
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: 3.917
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: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -177.964481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.964481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.964481 (E_RNA)
where:
Base-Base interactions energy: -118.099
where: short stacking energy: -43.504
Base-Backbone interact. energy: -0.226
local terms energy: -59.639393
where:
bonds (distance) C4'-P energy: -9.525
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -180.062983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.062983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.062983 (E_RNA)
where:
Base-Base interactions energy: -113.530
where: short stacking energy: -43.574
Base-Backbone interact. energy: -0.552
local terms energy: -65.980065
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -173.162032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.162032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.162032 (E_RNA)
where:
Base-Base interactions energy: -115.085
where: short stacking energy: -42.967
Base-Backbone interact. energy: -1.088
local terms energy: -56.989475
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -8.174
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -172.762610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.762610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.762610 (E_RNA)
where:
Base-Base interactions energy: -111.466
where: short stacking energy: -44.398
Base-Backbone interact. energy: -1.587
local terms energy: -59.710018
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -9.620
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -15.985
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: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -127.707750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.707750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.707750 (E_RNA)
where:
Base-Base interactions energy: -81.938
where: short stacking energy: -38.666
Base-Backbone interact. energy: -1.084
local terms energy: -44.685699
where:
bonds (distance) C4'-P energy: -7.861
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -10.552
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -7.845
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: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -81.949527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.949527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.949527 (E_RNA)
where:
Base-Base interactions energy: -36.428
where: short stacking energy: -27.132
Base-Backbone interact. energy: -0.037
local terms energy: -45.484180
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: -6.253
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: 7, replica: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -80.932796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.932796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.932796 (E_RNA)
where:
Base-Base interactions energy: -37.171
where: short stacking energy: -20.251
Base-Backbone interact. energy: -0.204
local terms energy: -43.558099
where:
bonds (distance) C4'-P energy: -8.353
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -2.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -71.857247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.857247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.857247 (E_RNA)
where:
Base-Base interactions energy: -32.330
where: short stacking energy: -20.067
Base-Backbone interact. energy: -0.210
local terms energy: -39.317494
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -4.554
flat angles P-C4'-P energy: -7.385
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: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -57.842664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.842664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.842664 (E_RNA)
where:
Base-Base interactions energy: -21.253
where: short stacking energy: -10.111
Base-Backbone interact. energy: -0.738
local terms energy: -35.852250
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -5.273
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: 1.553
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: 10, replica: 3
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -68.653228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.653228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.653228 (E_RNA)
where:
Base-Base interactions energy: -32.114
where: short stacking energy: -11.773
Base-Backbone interact. energy: 0.765
local terms energy: -37.305047
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -7.527
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -3.600
tors. eta vs tors. theta energy: -1.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -182.732112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.732112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.732112 (E_RNA)
where:
Base-Base interactions energy: -121.631
where: short stacking energy: -43.483
Base-Backbone interact. energy: -0.031
local terms energy: -61.070248
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -13.632
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: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -172.078972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.078972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.078972 (E_RNA)
where:
Base-Base interactions energy: -109.053
where: short stacking energy: -38.887
Base-Backbone interact. energy: -0.102
local terms energy: -62.923953
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -170.994892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.994892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.994892 (E_RNA)
where:
Base-Base interactions energy: -119.340
where: short stacking energy: -39.421
Base-Backbone interact. energy: -0.074
local terms energy: -51.580231
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -11.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -172.192859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.192859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.192859 (E_RNA)
where:
Base-Base interactions energy: -110.676
where: short stacking energy: -42.724
Base-Backbone interact. energy: -0.577
local terms energy: -60.939905
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -16.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -133.483298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.483298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.483298 (E_RNA)
where:
Base-Base interactions energy: -78.328
where: short stacking energy: -27.956
Base-Backbone interact. energy: -0.224
local terms energy: -54.931567
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -6.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -75.155010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.155010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.155010 (E_RNA)
where:
Base-Base interactions energy: -34.323
where: short stacking energy: -15.744
Base-Backbone interact. energy: 2.984
local terms energy: -43.815700
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: 1.120
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: 7, replica: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -78.640119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.640119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.640119 (E_RNA)
where:
Base-Base interactions energy: -45.857
where: short stacking energy: -12.777
Base-Backbone interact. energy: -0.297
local terms energy: -32.486200
where:
bonds (distance) C4'-P energy: -8.593
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -9.601
flat angles P-C4'-P energy: -4.082
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: 8, replica: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -58.691249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.691249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.691249 (E_RNA)
where:
Base-Base interactions energy: -13.405
where: short stacking energy: -13.405
Base-Backbone interact. energy: -0.033
local terms energy: -45.253728
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -8.828
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -89.396945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.396945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.396945 (E_RNA)
where:
Base-Base interactions energy: -50.488
where: short stacking energy: -21.094
Base-Backbone interact. energy: -0.248
local terms energy: -38.661567
where:
bonds (distance) C4'-P energy: -7.273
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -9.872
flat angles P-C4'-P energy: -6.842
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: 3
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -68.045193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.045193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.045193 (E_RNA)
where:
Base-Base interactions energy: -30.931
where: short stacking energy: -8.115
Base-Backbone interact. energy: -1.365
local terms energy: -35.749626
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -2.683
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: 1, replica: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -181.470200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.470200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.470200 (E_RNA)
where:
Base-Base interactions energy: -119.197
where: short stacking energy: -45.644
Base-Backbone interact. energy: -0.125
local terms energy: -62.148523
where:
bonds (distance) C4'-P energy: -8.325
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -179.996349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.996349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.996349 (E_RNA)
where:
Base-Base interactions energy: -119.027
where: short stacking energy: -50.826
Base-Backbone interact. energy: -0.029
local terms energy: -60.940174
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -15.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -180.190723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.190723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.190723 (E_RNA)
where:
Base-Base interactions energy: -112.910
where: short stacking energy: -45.649
Base-Backbone interact. energy: -0.002
local terms energy: -67.278199
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -171.680726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.680726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.680726 (E_RNA)
where:
Base-Base interactions energy: -112.471
where: short stacking energy: -45.175
Base-Backbone interact. energy: -0.086
local terms energy: -59.123072
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -15.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -121.781434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.781434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.781434 (E_RNA)
where:
Base-Base interactions energy: -71.473
where: short stacking energy: -27.360
Base-Backbone interact. energy: -0.293
local terms energy: -50.016194
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -78.095523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.095523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.095523 (E_RNA)
where:
Base-Base interactions energy: -24.976
where: short stacking energy: -23.936
Base-Backbone interact. energy: -0.197
local terms energy: -52.922687
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -6.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -66.004317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.004317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.004317 (E_RNA)
where:
Base-Base interactions energy: -23.970
where: short stacking energy: -10.665
Base-Backbone interact. energy: -0.196
local terms energy: -41.838133
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -6.673
flat angles P-C4'-P energy: -6.940
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: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -60.753834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.753834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.753834 (E_RNA)
where:
Base-Base interactions energy: -27.552
where: short stacking energy: -21.653
Base-Backbone interact. energy: 0.304
local terms energy: -33.505230
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -10.033
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -2.285
tors. eta vs tors. theta energy: 0.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -64.302563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.302563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.302563 (E_RNA)
where:
Base-Base interactions energy: -18.287
where: short stacking energy: -8.343
Base-Backbone interact. energy: -0.584
local terms energy: -45.431224
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -6.731
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: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -60.909272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.909272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.909272 (E_RNA)
where:
Base-Base interactions energy: -27.858
where: short stacking energy: -17.230
Base-Backbone interact. energy: -0.043
local terms energy: -33.008324
where:
bonds (distance) C4'-P energy: -6.759
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -9.689
flat angles P-C4'-P energy: -2.944
tors. eta vs tors. theta energy: -2.988
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: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -182.010157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.010157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.010157 (E_RNA)
where:
Base-Base interactions energy: -116.958
where: short stacking energy: -48.251
Base-Backbone interact. energy: -0.047
local terms energy: -65.004379
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -11.546
flat angles P-C4'-P energy: -12.698
tors. eta vs tors. theta energy: -18.329
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: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -177.545841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.545841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.545841 (E_RNA)
where:
Base-Base interactions energy: -115.872
where: short stacking energy: -46.537
Base-Backbone interact. energy: -0.002
local terms energy: -61.672470
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -8.629
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: 243
Temperature: 1.000000
Total energy: -173.889325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.889325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.889325 (E_RNA)
where:
Base-Base interactions energy: -114.636
where: short stacking energy: -48.384
Base-Backbone interact. energy: -0.114
local terms energy: -59.139788
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -10.532
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: 4, replica: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -169.857148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.857148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.857148 (E_RNA)
where:
Base-Base interactions energy: -109.484
where: short stacking energy: -48.542
Base-Backbone interact. energy: -0.011
local terms energy: -60.362198
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -14.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -154.955528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.955528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.955528 (E_RNA)
where:
Base-Base interactions energy: -108.352
where: short stacking energy: -30.590
Base-Backbone interact. energy: -0.801
local terms energy: -45.802666
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -4.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -112.250157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.250157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.250157 (E_RNA)
where:
Base-Base interactions energy: -60.706
where: short stacking energy: -21.988
Base-Backbone interact. energy: -0.180
local terms energy: -51.364474
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -8.398
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: 4
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -68.116303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.116303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.116303 (E_RNA)
where:
Base-Base interactions energy: -27.377
where: short stacking energy: -18.309
Base-Backbone interact. energy: -0.061
local terms energy: -40.678207
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -2.642
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: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -65.576858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.576858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.576858 (E_RNA)
where:
Base-Base interactions energy: -21.993
where: short stacking energy: -14.078
Base-Backbone interact. energy: -0.562
local terms energy: -43.021473
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: 1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -60.782861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.782861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.782861 (E_RNA)
where:
Base-Base interactions energy: -14.050
where: short stacking energy: -12.353
Base-Backbone interact. energy: -0.100
local terms energy: -46.633018
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -10.054
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -3.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -63.907512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.907512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.907512 (E_RNA)
where:
Base-Base interactions energy: -24.375
where: short stacking energy: -14.625
Base-Backbone interact. energy: -0.267
local terms energy: -39.264781
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -8.370
flat angles P-C4'-P energy: -4.919
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: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -181.756279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.756279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.756279 (E_RNA)
where:
Base-Base interactions energy: -116.572
where: short stacking energy: -45.563
Base-Backbone interact. energy: -0.000
local terms energy: -65.184189
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -8.528
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: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -180.658571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.658571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.658571 (E_RNA)
where:
Base-Base interactions energy: -113.275
where: short stacking energy: -47.447
Base-Backbone interact. energy: -0.373
local terms energy: -67.010571
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -176.316627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.316627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.316627 (E_RNA)
where:
Base-Base interactions energy: -115.916
where: short stacking energy: -44.101
Base-Backbone interact. energy: -0.012
local terms energy: -60.388594
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -11.559
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -17.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -165.553207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.553207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.553207 (E_RNA)
where:
Base-Base interactions energy: -113.538
where: short stacking energy: -46.717
Base-Backbone interact. energy: -0.092
local terms energy: -51.922913
where:
bonds (distance) C4'-P energy: -6.461
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -111.990391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.990391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.990391 (E_RNA)
where:
Base-Base interactions energy: -62.454
where: short stacking energy: -28.062
Base-Backbone interact. energy: 1.123
local terms energy: -50.659263
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -165.633952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.633952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.633952 (E_RNA)
where:
Base-Base interactions energy: -108.590
where: short stacking energy: -43.396
Base-Backbone interact. energy: -1.021
local terms energy: -56.023615
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -7.562
flat angles P-C4'-P energy: -9.301
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: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -62.486735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.486735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.486735 (E_RNA)
where:
Base-Base interactions energy: -23.072
where: short stacking energy: -15.255
Base-Backbone interact. energy: -0.127
local terms energy: -39.286986
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -8.446
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: 0.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -70.789063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.789063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.789063 (E_RNA)
where:
Base-Base interactions energy: -23.450
where: short stacking energy: -12.546
Base-Backbone interact. energy: -0.151
local terms energy: -47.188761
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -3.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -62.793421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.793421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.793421 (E_RNA)
where:
Base-Base interactions energy: -27.115
where: short stacking energy: -8.863
Base-Backbone interact. energy: 2.177
local terms energy: -37.855434
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -6.430
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: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -59.144186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.144186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.144186 (E_RNA)
where:
Base-Base interactions energy: -15.646
where: short stacking energy: -15.646
Base-Backbone interact. energy: -0.319
local terms energy: -43.179771
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -8.817
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: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -179.376311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.376311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.376311 (E_RNA)
where:
Base-Base interactions energy: -122.783
where: short stacking energy: -43.367
Base-Backbone interact. energy: -0.020
local terms energy: -56.573326
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -10.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -170.485342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.485342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.485342 (E_RNA)
where:
Base-Base interactions energy: -112.260
where: short stacking energy: -47.676
Base-Backbone interact. energy: -0.624
local terms energy: -57.601304
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -3.156
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -174.699771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.699771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.699771 (E_RNA)
where:
Base-Base interactions energy: -113.866
where: short stacking energy: -43.088
Base-Backbone interact. energy: -0.469
local terms energy: -60.364599
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -172.807966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.807966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.807966 (E_RNA)
where:
Base-Base interactions energy: -112.173
where: short stacking energy: -41.595
Base-Backbone interact. energy: -0.004
local terms energy: -60.630590
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -125.197047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.197047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.197047 (E_RNA)
where:
Base-Base interactions energy: -72.698
where: short stacking energy: -33.662
Base-Backbone interact. energy: -0.124
local terms energy: -52.374626
where:
bonds (distance) C4'-P energy: -7.020
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -10.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -173.306293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.306293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.306293 (E_RNA)
where:
Base-Base interactions energy: -108.838
where: short stacking energy: -50.118
Base-Backbone interact. energy: -0.261
local terms energy: -64.207390
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -14.763
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: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -69.370313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.370313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.370313 (E_RNA)
where:
Base-Base interactions energy: -33.129
where: short stacking energy: -18.986
Base-Backbone interact. energy: 1.814
local terms energy: -38.054999
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -6.500
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -71.092021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.092021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.092021 (E_RNA)
where:
Base-Base interactions energy: -28.711
where: short stacking energy: -17.677
Base-Backbone interact. energy: 0.217
local terms energy: -42.597653
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -6.909
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -1.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -67.947283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.947283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.947283 (E_RNA)
where:
Base-Base interactions energy: -26.294
where: short stacking energy: -14.381
Base-Backbone interact. energy: -0.016
local terms energy: -41.637813
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -7.887
flat angles P-C4'-P energy: -6.445
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: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -81.101267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.101267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.101267 (E_RNA)
where:
Base-Base interactions energy: -44.283
where: short stacking energy: -14.984
Base-Backbone interact. energy: -0.163
local terms energy: -36.655674
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -9.275
flat angles C4'-P-C4' energy: -4.842
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -6.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -179.289075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.289075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.289075 (E_RNA)
where:
Base-Base interactions energy: -116.261
where: short stacking energy: -50.154
Base-Backbone interact. energy: -0.003
local terms energy: -63.024938
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -15.665
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: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -177.480847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.480847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.480847 (E_RNA)
where:
Base-Base interactions energy: -114.737
where: short stacking energy: -44.081
Base-Backbone interact. energy: -0.578
local terms energy: -62.166650
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -8.173
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: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -171.352086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.352086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.352086 (E_RNA)
where:
Base-Base interactions energy: -115.537
where: short stacking energy: -47.226
Base-Backbone interact. energy: -0.028
local terms energy: -55.787054
where:
bonds (distance) C4'-P energy: -7.250
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -173.269505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.269505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.269505 (E_RNA)
where:
Base-Base interactions energy: -112.119
where: short stacking energy: -42.118
Base-Backbone interact. energy: -0.843
local terms energy: -60.308056
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -9.605
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: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -148.250425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.250425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.250425 (E_RNA)
where:
Base-Base interactions energy: -106.558
where: short stacking energy: -36.172
Base-Backbone interact. energy: -0.499
local terms energy: -41.193324
where:
bonds (distance) C4'-P energy: -10.134
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -1.442
tors. eta vs tors. theta energy: -9.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -94.695794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.695794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.695794 (E_RNA)
where:
Base-Base interactions energy: -52.330
where: short stacking energy: -20.326
Base-Backbone interact. energy: -0.004
local terms energy: -42.361466
where:
bonds (distance) C4'-P energy: -12.030
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -8.487
flat angles P-C4'-P energy: -1.928
tors. eta vs tors. theta energy: -9.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -84.981840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.981840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.981840 (E_RNA)
where:
Base-Base interactions energy: -41.518
where: short stacking energy: -16.538
Base-Backbone interact. energy: -0.137
local terms energy: -43.326777
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -63.365885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.365885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.365885 (E_RNA)
where:
Base-Base interactions energy: -21.484
where: short stacking energy: -19.880
Base-Backbone interact. energy: -0.011
local terms energy: -41.870544
where:
bonds (distance) C4'-P energy: -7.240
bonds (distance) P-C4' energy: -10.188
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -7.078
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: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -58.986710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.986710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.986710 (E_RNA)
where:
Base-Base interactions energy: -23.930
where: short stacking energy: -13.521
Base-Backbone interact. energy: -0.158
local terms energy: -34.898567
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -2.713
flat angles P-C4'-P energy: -7.499
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: 10, replica: 4
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -64.604588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.604588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.604588 (E_RNA)
where:
Base-Base interactions energy: -33.475
where: short stacking energy: -18.459
Base-Backbone interact. energy: -0.731
local terms energy: -30.398304
where:
bonds (distance) C4'-P energy: -5.816
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -3.637
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: 0.422
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: 1, replica: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -180.840617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.840617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.840617 (E_RNA)
where:
Base-Base interactions energy: -120.371
where: short stacking energy: -50.854
Base-Backbone interact. energy: -0.001
local terms energy: -60.468570
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -8.745
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -7.506
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: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -175.248991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.248991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.248991 (E_RNA)
where:
Base-Base interactions energy: -115.212
where: short stacking energy: -35.510
Base-Backbone interact. energy: -0.739
local terms energy: -59.298166
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -13.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -176.649000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.649000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.649000 (E_RNA)
where:
Base-Base interactions energy: -109.772
where: short stacking energy: -42.094
Base-Backbone interact. energy: -1.069
local terms energy: -65.808022
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -175.254741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.254741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.254741 (E_RNA)
where:
Base-Base interactions energy: -112.626
where: short stacking energy: -48.087
Base-Backbone interact. energy: -0.041
local terms energy: -62.587903
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -9.001
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: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -129.156306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.156306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.156306 (E_RNA)
where:
Base-Base interactions energy: -78.944
where: short stacking energy: -32.476
Base-Backbone interact. energy: -0.108
local terms energy: -50.104079
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -83.923235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.923235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.923235 (E_RNA)
where:
Base-Base interactions energy: -39.034
where: short stacking energy: -20.155
Base-Backbone interact. energy: -0.041
local terms energy: -44.848807
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -10.105
flat angles P-C4'-P energy: -7.572
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: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -69.603331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.603331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.603331 (E_RNA)
where:
Base-Base interactions energy: -33.532
where: short stacking energy: -16.934
Base-Backbone interact. energy: -0.277
local terms energy: -35.794604
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -3.886
tors. eta vs tors. theta energy: 3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -69.823144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.823144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.823144 (E_RNA)
where:
Base-Base interactions energy: -25.035
where: short stacking energy: -25.035
Base-Backbone interact. energy: -0.177
local terms energy: -44.610594
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -5.070
tors. eta vs tors. theta energy: -7.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -63.783550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.783550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.783550 (E_RNA)
where:
Base-Base interactions energy: -18.325
where: short stacking energy: -18.325
Base-Backbone interact. energy: -0.080
local terms energy: -45.378806
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -8.918
flat angles P-C4'-P energy: -8.059
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: 10, replica: 4
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -65.043022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.043022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.043022 (E_RNA)
where:
Base-Base interactions energy: -24.948
where: short stacking energy: -16.138
Base-Backbone interact. energy: -0.187
local terms energy: -39.907970
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -9.448
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: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -181.954150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.954150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.954150 (E_RNA)
where:
Base-Base interactions energy: -115.960
where: short stacking energy: -45.874
Base-Backbone interact. energy: -0.009
local terms energy: -65.985176
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -7.734
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: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -181.389744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.389744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.389744 (E_RNA)
where:
Base-Base interactions energy: -120.843
where: short stacking energy: -50.130
Base-Backbone interact. energy: 2.554
local terms energy: -63.101439
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -172.896227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.896227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.896227 (E_RNA)
where:
Base-Base interactions energy: -115.557
where: short stacking energy: -49.154
Base-Backbone interact. energy: -0.484
local terms energy: -56.855783
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -165.723118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.723118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.723118 (E_RNA)
where:
Base-Base interactions energy: -117.045
where: short stacking energy: -43.865
Base-Backbone interact. energy: -0.094
local terms energy: -48.584521
where:
bonds (distance) C4'-P energy: -7.007
bonds (distance) P-C4' energy: -9.602
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -6.140
tors. eta vs tors. theta energy: -16.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -163.271688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.271688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.271688 (E_RNA)
where:
Base-Base interactions energy: -108.609
where: short stacking energy: -43.832
Base-Backbone interact. energy: -0.966
local terms energy: -53.697424
where:
bonds (distance) C4'-P energy: -8.085
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -9.362
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: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -60.696001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.696001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.696001 (E_RNA)
where:
Base-Base interactions energy: -19.987
where: short stacking energy: -15.583
Base-Backbone interact. energy: -0.010
local terms energy: -40.698692
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -2.034
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: 10
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -66.791415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.791415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.791415 (E_RNA)
where:
Base-Base interactions energy: -23.389
where: short stacking energy: -11.795
Base-Backbone interact. energy: -0.215
local terms energy: -43.187454
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -7.665
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -80.533476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.533476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.533476 (E_RNA)
where:
Base-Base interactions energy: -34.890
where: short stacking energy: -18.342
Base-Backbone interact. energy: -0.917
local terms energy: -44.726471
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -7.277
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -3.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -79.162478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.162478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.162478 (E_RNA)
where:
Base-Base interactions energy: -39.508
where: short stacking energy: -21.590
Base-Backbone interact. energy: -0.020
local terms energy: -39.634445
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -67.772400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.772400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.772400 (E_RNA)
where:
Base-Base interactions energy: -21.834
where: short stacking energy: -21.834
Base-Backbone interact. energy: -0.112
local terms energy: -45.826179
where:
bonds (distance) C4'-P energy: -11.074
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -8.871
flat angles P-C4'-P energy: -7.801
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: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -184.809345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.809345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.809345 (E_RNA)
where:
Base-Base interactions energy: -128.266
where: short stacking energy: -38.903
Base-Backbone interact. energy: -0.032
local terms energy: -56.511380
where:
bonds (distance) C4'-P energy: -7.940
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -7.335
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: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -174.998887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.998887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.998887 (E_RNA)
where:
Base-Base interactions energy: -115.938
where: short stacking energy: -44.766
Base-Backbone interact. energy: -0.109
local terms energy: -58.951016
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -8.837
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: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -175.392019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.392019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.392019 (E_RNA)
where:
Base-Base interactions energy: -111.967
where: short stacking energy: -49.679
Base-Backbone interact. energy: -0.289
local terms energy: -63.136152
where:
bonds (distance) C4'-P energy: -9.372
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -10.593
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: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -172.908242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.908242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.908242 (E_RNA)
where:
Base-Base interactions energy: -112.795
where: short stacking energy: -41.993
Base-Backbone interact. energy: -0.320
local terms energy: -59.793472
where:
bonds (distance) C4'-P energy: -9.636
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -175.043452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.043452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.043452 (E_RNA)
where:
Base-Base interactions energy: -116.056
where: short stacking energy: -45.119
Base-Backbone interact. energy: -0.009
local terms energy: -58.978945
where:
bonds (distance) C4'-P energy: -8.561
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -13.683
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: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -65.314144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.314144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.314144 (E_RNA)
where:
Base-Base interactions energy: -20.606
where: short stacking energy: -18.638
Base-Backbone interact. energy: -0.006
local terms energy: -44.701669
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -7.940
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -66.427758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.427758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.427758 (E_RNA)
where:
Base-Base interactions energy: -23.892
where: short stacking energy: -23.892
Base-Backbone interact. energy: -0.118
local terms energy: -42.417136
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -9.092
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -75.446781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.446781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.446781 (E_RNA)
where:
Base-Base interactions energy: -33.646
where: short stacking energy: -21.146
Base-Backbone interact. energy: -0.075
local terms energy: -41.725104
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -4.781
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: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -61.818358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.818358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.818358 (E_RNA)
where:
Base-Base interactions energy: -24.680
where: short stacking energy: -15.798
Base-Backbone interact. energy: -0.200
local terms energy: -36.938709
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -8.016
flat angles P-C4'-P energy: -3.031
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: 10, replica: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -60.592525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.592525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.592525 (E_RNA)
where:
Base-Base interactions energy: -21.080
where: short stacking energy: -15.141
Base-Backbone interact. energy: 0.431
local terms energy: -39.943654
where:
bonds (distance) C4'-P energy: -8.958
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -180.579009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.579009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.579009 (E_RNA)
where:
Base-Base interactions energy: -123.309
where: short stacking energy: -44.343
Base-Backbone interact. energy: -0.404
local terms energy: -56.866009
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -9.103
flat angles P-C4'-P energy: -10.154
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: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -176.945545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.945545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.945545 (E_RNA)
where:
Base-Base interactions energy: -112.531
where: short stacking energy: -43.028
Base-Backbone interact. energy: -0.073
local terms energy: -64.342161
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -15.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -176.831440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.831440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.831440 (E_RNA)
where:
Base-Base interactions energy: -119.105
where: short stacking energy: -50.014
Base-Backbone interact. energy: -0.014
local terms energy: -57.712574
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -9.028
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -17.603
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: 4, replica: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -173.622684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.622684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.622684 (E_RNA)
where:
Base-Base interactions energy: -116.558
where: short stacking energy: -44.432
Base-Backbone interact. energy: -0.150
local terms energy: -56.914441
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -168.587366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.587366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.587366 (E_RNA)
where:
Base-Base interactions energy: -109.735
where: short stacking energy: -44.993
Base-Backbone interact. energy: -0.012
local terms energy: -58.839466
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -16.784
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: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -71.920981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.920981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.920981 (E_RNA)
where:
Base-Base interactions energy: -22.207
where: short stacking energy: -22.207
Base-Backbone interact. energy: -0.057
local terms energy: -49.656408
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -9.086
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -6.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -74.227909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.227909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.227909 (E_RNA)
where:
Base-Base interactions energy: -32.273
where: short stacking energy: -20.922
Base-Backbone interact. energy: -0.006
local terms energy: -41.948515
where:
bonds (distance) C4'-P energy: -6.045
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -9.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -72.942169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.942169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.942169 (E_RNA)
where:
Base-Base interactions energy: -29.589
where: short stacking energy: -19.725
Base-Backbone interact. energy: -0.001
local terms energy: -43.352496
where:
bonds (distance) C4'-P energy: -9.562
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -4.222
tors. eta vs tors. theta energy: -4.349
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: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -62.802411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.802411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.802411 (E_RNA)
where:
Base-Base interactions energy: -23.915
where: short stacking energy: -17.491
Base-Backbone interact. energy: -0.011
local terms energy: -38.877193
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -7.074
flat angles P-C4'-P energy: -4.446
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: 10, replica: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -57.975986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.975986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.975986 (E_RNA)
where:
Base-Base interactions energy: -15.727
where: short stacking energy: -9.813
Base-Backbone interact. energy: -0.136
local terms energy: -42.112203
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: 2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -180.572909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.572909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.572909 (E_RNA)
where:
Base-Base interactions energy: -123.801
where: short stacking energy: -46.298
Base-Backbone interact. energy: -0.014
local terms energy: -56.758433
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -11.217
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: 251
Temperature: 0.950000
Total energy: -180.926389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.926389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.926389 (E_RNA)
where:
Base-Base interactions energy: -117.777
where: short stacking energy: -48.806
Base-Backbone interact. energy: -0.005
local terms energy: -63.144871
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -173.577522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.577522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.577522 (E_RNA)
where:
Base-Base interactions energy: -113.615
where: short stacking energy: -41.452
Base-Backbone interact. energy: -0.194
local terms energy: -59.768090
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -12.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -167.701236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.701236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.701236 (E_RNA)
where:
Base-Base interactions energy: -107.506
where: short stacking energy: -45.326
Base-Backbone interact. energy: -0.089
local terms energy: -60.106787
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -135.031141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.031141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.031141 (E_RNA)
where:
Base-Base interactions energy: -78.242
where: short stacking energy: -26.220
Base-Backbone interact. energy: -0.014
local terms energy: -56.774834
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -71.619619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.619619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.619619 (E_RNA)
where:
Base-Base interactions energy: -30.543
where: short stacking energy: -22.520
Base-Backbone interact. energy: -0.021
local terms energy: -41.056287
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -8.794
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -4.125
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: 251
Temperature: 1.200000
Total energy: -63.116748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.116748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.116748 (E_RNA)
where:
Base-Base interactions energy: -23.473
where: short stacking energy: -18.659
Base-Backbone interact. energy: -0.084
local terms energy: -39.559292
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -3.597
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: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -65.528739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.528739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.528739 (E_RNA)
where:
Base-Base interactions energy: -27.583
where: short stacking energy: -14.055
Base-Backbone interact. energy: -1.031
local terms energy: -36.914153
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -9.702
flat angles P-C4'-P energy: -1.969
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: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -61.328299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.328299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.328299 (E_RNA)
where:
Base-Base interactions energy: -19.857
where: short stacking energy: -19.857
Base-Backbone interact. energy: -0.304
local terms energy: -41.167375
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -4.809
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -56.426190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.426190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.426190 (E_RNA)
where:
Base-Base interactions energy: -18.732
where: short stacking energy: -11.166
Base-Backbone interact. energy: -0.220
local terms energy: -37.473872
where:
bonds (distance) C4'-P energy: -9.376
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -3.110
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: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -180.634525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.634525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.634525 (E_RNA)
where:
Base-Base interactions energy: -128.333
where: short stacking energy: -42.783
Base-Backbone interact. energy: -0.021
local terms energy: -52.280337
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -9.176
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -178.352835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.352835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.352835 (E_RNA)
where:
Base-Base interactions energy: -116.573
where: short stacking energy: -49.478
Base-Backbone interact. energy: -0.001
local terms energy: -61.778398
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -174.723031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.723031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.723031 (E_RNA)
where:
Base-Base interactions energy: -111.022
where: short stacking energy: -42.510
Base-Backbone interact. energy: -0.000
local terms energy: -63.700647
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -18.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -169.591757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.591757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.591757 (E_RNA)
where:
Base-Base interactions energy: -107.269
where: short stacking energy: -41.699
Base-Backbone interact. energy: -0.010
local terms energy: -62.312529
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -9.729
flat angles P-C4'-P energy: -9.122
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: 5, replica: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -148.573458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.573458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.573458 (E_RNA)
where:
Base-Base interactions energy: -99.919
where: short stacking energy: -29.426
Base-Backbone interact. energy: -0.053
local terms energy: -48.601704
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -10.568
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -9.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -70.669314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.669314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.669314 (E_RNA)
where:
Base-Base interactions energy: -26.579
where: short stacking energy: -13.867
Base-Backbone interact. energy: -0.041
local terms energy: -44.049503
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -8.546
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -76.532798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.532798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.532798 (E_RNA)
where:
Base-Base interactions energy: -38.508
where: short stacking energy: -19.860
Base-Backbone interact. energy: -0.008
local terms energy: -38.016093
where:
bonds (distance) C4'-P energy: -8.639
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -3.879
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: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -61.184463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.184463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.184463 (E_RNA)
where:
Base-Base interactions energy: -27.194
where: short stacking energy: -12.793
Base-Backbone interact. energy: 0.189
local terms energy: -34.179746
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -10.719
flat angles C4'-P-C4' energy: -4.346
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: 0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -58.851306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.851306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.851306 (E_RNA)
where:
Base-Base interactions energy: -23.151
where: short stacking energy: -14.794
Base-Backbone interact. energy: -0.884
local terms energy: -34.816038
where:
bonds (distance) C4'-P energy: -4.429
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -5.225
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: 5
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -53.028163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.028163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.028163 (E_RNA)
where:
Base-Base interactions energy: -10.602
where: short stacking energy: -7.834
Base-Backbone interact. energy: -0.038
local terms energy: -42.388952
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -6.215
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: 253
Temperature: 0.900000
Total energy: -177.173858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.173858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.173858 (E_RNA)
where:
Base-Base interactions energy: -122.783
where: short stacking energy: -33.352
Base-Backbone interact. energy: 2.866
local terms energy: -57.257485
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -11.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -176.709519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.709519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.709519 (E_RNA)
where:
Base-Base interactions energy: -117.554
where: short stacking energy: -51.377
Base-Backbone interact. energy: -0.002
local terms energy: -59.154111
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -9.329
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -175.795748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.795748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.795748 (E_RNA)
where:
Base-Base interactions energy: -119.416
where: short stacking energy: -49.169
Base-Backbone interact. energy: -0.008
local terms energy: -56.371783
where:
bonds (distance) C4'-P energy: -8.303
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -18.044
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: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -170.653309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.653309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.653309 (E_RNA)
where:
Base-Base interactions energy: -119.959
where: short stacking energy: -44.367
Base-Backbone interact. energy: -0.358
local terms energy: -50.336186
where:
bonds (distance) C4'-P energy: -5.700
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -9.226
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -142.192110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.192110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.192110 (E_RNA)
where:
Base-Base interactions energy: -100.746
where: short stacking energy: -34.402
Base-Backbone interact. energy: -0.127
local terms energy: -41.319831
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -8.319
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -6.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -65.727374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.727374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.727374 (E_RNA)
where:
Base-Base interactions energy: -26.443
where: short stacking energy: -15.348
Base-Backbone interact. energy: -0.247
local terms energy: -39.036428
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -1.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -71.807749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.807749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.807749 (E_RNA)
where:
Base-Base interactions energy: -27.912
where: short stacking energy: -17.816
Base-Backbone interact. energy: -0.427
local terms energy: -43.468810
where:
bonds (distance) C4'-P energy: -4.775
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -6.947
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: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -73.375550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.375550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.375550 (E_RNA)
where:
Base-Base interactions energy: -19.680
where: short stacking energy: -16.208
Base-Backbone interact. energy: -0.075
local terms energy: -53.621314
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -56.527300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.527300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.527300 (E_RNA)
where:
Base-Base interactions energy: -12.390
where: short stacking energy: -12.790
Base-Backbone interact. energy: -0.012
local terms energy: -44.126169
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -1.924
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: 5
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -56.935105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.935105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.935105 (E_RNA)
where:
Base-Base interactions energy: -9.646
where: short stacking energy: -7.318
Base-Backbone interact. energy: -0.147
local terms energy: -47.141750
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -8.714
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: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -180.487316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.487316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.487316 (E_RNA)
where:
Base-Base interactions energy: -114.106
where: short stacking energy: -50.104
Base-Backbone interact. energy: -0.015
local terms energy: -66.366246
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -11.323
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -10.360
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: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -181.972216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.972216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.972216 (E_RNA)
where:
Base-Base interactions energy: -122.849
where: short stacking energy: -43.766
Base-Backbone interact. energy: -0.044
local terms energy: -59.079430
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -11.333
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -11.368
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: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -173.229897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.229897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.229897 (E_RNA)
where:
Base-Base interactions energy: -117.022
where: short stacking energy: -44.087
Base-Backbone interact. energy: -0.054
local terms energy: -56.153742
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -7.149
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: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -178.269934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.269934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.269934 (E_RNA)
where:
Base-Base interactions energy: -116.717
where: short stacking energy: -52.163
Base-Backbone interact. energy: -0.043
local terms energy: -61.510114
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -15.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -143.547967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.547967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.547967 (E_RNA)
where:
Base-Base interactions energy: -93.957
where: short stacking energy: -30.028
Base-Backbone interact. energy: -0.105
local terms energy: -49.485948
where:
bonds (distance) C4'-P energy: -8.991
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -7.830
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -79.865470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.865470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.865470 (E_RNA)
where:
Base-Base interactions energy: -42.631
where: short stacking energy: -12.824
Base-Backbone interact. energy: -0.140
local terms energy: -37.094822
where:
bonds (distance) C4'-P energy: -8.829
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: 1.850
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: 254
Temperature: 1.200000
Total energy: -65.012208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.012208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.012208 (E_RNA)
where:
Base-Base interactions energy: -20.968
where: short stacking energy: -20.864
Base-Backbone interact. energy: -0.496
local terms energy: -43.548718
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: 0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -64.108835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.108835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.108835 (E_RNA)
where:
Base-Base interactions energy: -21.820
where: short stacking energy: -22.120
Base-Backbone interact. energy: -0.108
local terms energy: -42.181458
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -5.952
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -77.090583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.090583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.090583 (E_RNA)
where:
Base-Base interactions energy: -36.696
where: short stacking energy: -30.164
Base-Backbone interact. energy: -0.114
local terms energy: -40.280178
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -3.244
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -5.899
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: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -69.768678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.768678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.768678 (E_RNA)
where:
Base-Base interactions energy: -23.327
where: short stacking energy: -22.581
Base-Backbone interact. energy: -0.102
local terms energy: -46.340185
where:
bonds (distance) C4'-P energy: -11.550
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -7.804
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -8.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -178.717385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.717385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.717385 (E_RNA)
where:
Base-Base interactions energy: -118.949
where: short stacking energy: -43.777
Base-Backbone interact. energy: -0.007
local terms energy: -59.761097
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -9.000
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: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -175.234632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.234632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.234632 (E_RNA)
where:
Base-Base interactions energy: -112.710
where: short stacking energy: -43.419
Base-Backbone interact. energy: -0.000
local terms energy: -62.524432
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -180.514993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.514993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.514993 (E_RNA)
where:
Base-Base interactions energy: -122.851
where: short stacking energy: -43.484
Base-Backbone interact. energy: -0.923
local terms energy: -56.741063
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.307
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: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -174.828590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.828590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.828590 (E_RNA)
where:
Base-Base interactions energy: -113.938
where: short stacking energy: -45.447
Base-Backbone interact. energy: -0.026
local terms energy: -60.864354
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -4.564
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: 5, replica: 8
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -174.722368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.722368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.722368 (E_RNA)
where:
Base-Base interactions energy: -114.150
where: short stacking energy: -44.278
Base-Backbone interact. energy: -0.002
local terms energy: -60.570642
where:
bonds (distance) C4'-P energy: -8.375
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -81.882683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.882683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.882683 (E_RNA)
where:
Base-Base interactions energy: -42.094
where: short stacking energy: -21.368
Base-Backbone interact. energy: -0.250
local terms energy: -39.538618
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -2.524
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: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -64.498351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.498351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.498351 (E_RNA)
where:
Base-Base interactions energy: -17.423
where: short stacking energy: -12.312
Base-Backbone interact. energy: -0.088
local terms energy: -46.987394
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -8.340
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -8.632
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: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -66.927708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.927708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.927708 (E_RNA)
where:
Base-Base interactions energy: -29.177
where: short stacking energy: -9.468
Base-Backbone interact. energy: -0.197
local terms energy: -37.554406
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: 3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -63.729311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.729311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.729311 (E_RNA)
where:
Base-Base interactions energy: -19.575
where: short stacking energy: -19.575
Base-Backbone interact. energy: -0.039
local terms energy: -44.114566
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -7.427
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -5.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -62.056532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.056532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.056532 (E_RNA)
where:
Base-Base interactions energy: -19.247
where: short stacking energy: -19.247
Base-Backbone interact. energy: -1.012
local terms energy: -41.796670
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -1.113
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: 7
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -180.239694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.239694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.239694 (E_RNA)
where:
Base-Base interactions energy: -117.350
where: short stacking energy: -46.017
Base-Backbone interact. energy: -0.004
local terms energy: -62.885079
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -6.155
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: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -176.612043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.612043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.612043 (E_RNA)
where:
Base-Base interactions energy: -112.240
where: short stacking energy: -43.620
Base-Backbone interact. energy: -0.101
local terms energy: -64.271855
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -16.198
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: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -177.649704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.649704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.649704 (E_RNA)
where:
Base-Base interactions energy: -116.887
where: short stacking energy: -43.794
Base-Backbone interact. energy: -0.016
local terms energy: -60.746428
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -10.022
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -177.127617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.127617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.127617 (E_RNA)
where:
Base-Base interactions energy: -118.219
where: short stacking energy: -44.879
Base-Backbone interact. energy: -0.004
local terms energy: -58.905159
where:
bonds (distance) C4'-P energy: -8.569
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -15.830
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: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -173.383122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.383122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.383122 (E_RNA)
where:
Base-Base interactions energy: -118.175
where: short stacking energy: -46.665
Base-Backbone interact. energy: -0.006
local terms energy: -55.202527
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -15.657
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: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -76.050858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.050858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.050858 (E_RNA)
where:
Base-Base interactions energy: -32.641
where: short stacking energy: -23.604
Base-Backbone interact. energy: -0.311
local terms energy: -43.098589
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -8.462
flat angles P-C4'-P energy: -7.607
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: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -73.039829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.039829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.039829 (E_RNA)
where:
Base-Base interactions energy: -25.760
where: short stacking energy: -20.270
Base-Backbone interact. energy: -0.155
local terms energy: -47.125101
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -9.137
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: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -70.908892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.908892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.908892 (E_RNA)
where:
Base-Base interactions energy: -37.406
where: short stacking energy: -17.979
Base-Backbone interact. energy: -0.067
local terms energy: -33.435539
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -9.758
flat angles C4'-P-C4' energy: -8.632
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -62.204681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.204681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.204681 (E_RNA)
where:
Base-Base interactions energy: -31.482
where: short stacking energy: -12.398
Base-Backbone interact. energy: -0.056
local terms energy: -30.667082
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -8.167
flat angles P-C4'-P energy: -0.250
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: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -74.446679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.446679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.446679 (E_RNA)
where:
Base-Base interactions energy: -27.740
where: short stacking energy: -22.547
Base-Backbone interact. energy: -0.629
local terms energy: -46.077573
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -7.820
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: 257
Temperature: 0.900000
Total energy: -182.525559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.525559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.525559 (E_RNA)
where:
Base-Base interactions energy: -115.643
where: short stacking energy: -46.547
Base-Backbone interact. energy: 0.310
local terms energy: -67.193004
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -179.681112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.681112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.681112 (E_RNA)
where:
Base-Base interactions energy: -115.886
where: short stacking energy: -48.395
Base-Backbone interact. energy: -0.003
local terms energy: -63.792548
where:
bonds (distance) C4'-P energy: -8.084
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -176.253428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.253428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.253428 (E_RNA)
where:
Base-Base interactions energy: -113.966
where: short stacking energy: -41.473
Base-Backbone interact. energy: -0.091
local terms energy: -62.196402
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -17.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -176.655437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.655437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.655437 (E_RNA)
where:
Base-Base interactions energy: -118.231
where: short stacking energy: -41.881
Base-Backbone interact. energy: 0.305
local terms energy: -58.728644
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -13.683
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: 257
Temperature: 1.100000
Total energy: -171.919004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.919004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.919004 (E_RNA)
where:
Base-Base interactions energy: -111.833
where: short stacking energy: -44.486
Base-Backbone interact. energy: -0.259
local terms energy: -59.826657
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -8.274
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -77.457931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.457931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.457931 (E_RNA)
where:
Base-Base interactions energy: -33.899
where: short stacking energy: -17.766
Base-Backbone interact. energy: -0.025
local terms energy: -43.534213
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -8.662
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -77.629769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.629769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.629769 (E_RNA)
where:
Base-Base interactions energy: -37.834
where: short stacking energy: -12.251
Base-Backbone interact. energy: -1.428
local terms energy: -38.367952
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: 1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -71.103057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.103057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.103057 (E_RNA)
where:
Base-Base interactions energy: -26.212
where: short stacking energy: -12.164
Base-Backbone interact. energy: -0.188
local terms energy: -44.703335
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -8.762
flat angles P-C4'-P energy: -8.410
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: 9, replica: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -57.085048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.085048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.085048 (E_RNA)
where:
Base-Base interactions energy: -20.515
where: short stacking energy: -14.148
Base-Backbone interact. energy: -0.010
local terms energy: -36.559310
where:
bonds (distance) C4'-P energy: -1.527
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -61.487840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.487840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.487840 (E_RNA)
where:
Base-Base interactions energy: -20.681
where: short stacking energy: -13.633
Base-Backbone interact. energy: -0.237
local terms energy: -40.570494
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -6.308
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: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -179.593054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.593054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.593054 (E_RNA)
where:
Base-Base interactions energy: -114.403
where: short stacking energy: -48.035
Base-Backbone interact. energy: -0.010
local terms energy: -65.180134
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -16.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -182.229453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.229453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.229453 (E_RNA)
where:
Base-Base interactions energy: -122.578
where: short stacking energy: -49.892
Base-Backbone interact. energy: -0.009
local terms energy: -59.642132
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -180.811734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.811734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.811734 (E_RNA)
where:
Base-Base interactions energy: -115.574
where: short stacking energy: -43.962
Base-Backbone interact. energy: -0.002
local terms energy: -65.235583
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -10.835
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: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -163.402783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.402783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.402783 (E_RNA)
where:
Base-Base interactions energy: -98.169
where: short stacking energy: -42.579
Base-Backbone interact. energy: -0.008
local terms energy: -65.226033
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -167.939030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.939030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.939030 (E_RNA)
where:
Base-Base interactions energy: -104.805
where: short stacking energy: -43.641
Base-Backbone interact. energy: -0.643
local terms energy: -62.490858
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -9.453
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: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -78.240252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.240252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.240252 (E_RNA)
where:
Base-Base interactions energy: -37.484
where: short stacking energy: -28.409
Base-Backbone interact. energy: -0.080
local terms energy: -40.675691
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -6.708
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -88.180903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.180903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.180903 (E_RNA)
where:
Base-Base interactions energy: -45.229
where: short stacking energy: -14.781
Base-Backbone interact. energy: -0.097
local terms energy: -42.855131
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: -6.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -59.970052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.970052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.970052 (E_RNA)
where:
Base-Base interactions energy: -13.017
where: short stacking energy: -13.274
Base-Backbone interact. energy: -0.017
local terms energy: -46.935992
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -10.435
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -6.732
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: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -65.367116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.367116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.367116 (E_RNA)
where:
Base-Base interactions energy: -26.100
where: short stacking energy: -25.446
Base-Backbone interact. energy: 0.127
local terms energy: -39.394693
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -10.261
flat angles C4'-P-C4' energy: -7.614
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -51.069600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.069600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.069600 (E_RNA)
where:
Base-Base interactions energy: -12.888
where: short stacking energy: -7.952
Base-Backbone interact. energy: -1.428
local terms energy: -36.753852
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -7.243
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: 4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -181.310066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.310066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.310066 (E_RNA)
where:
Base-Base interactions energy: -124.536
where: short stacking energy: -44.364
Base-Backbone interact. energy: -0.139
local terms energy: -56.634601
where:
bonds (distance) C4'-P energy: -8.025
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -15.625
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: 259
Temperature: 0.950000
Total energy: -176.412470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.412470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.412470 (E_RNA)
where:
Base-Base interactions energy: -114.828
where: short stacking energy: -43.571
Base-Backbone interact. energy: -0.069
local terms energy: -61.515716
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -8.502
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: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -177.001588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.001588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.001588 (E_RNA)
where:
Base-Base interactions energy: -117.594
where: short stacking energy: -47.944
Base-Backbone interact. energy: -0.399
local terms energy: -59.009246
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -177.372800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.372800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.372800 (E_RNA)
where:
Base-Base interactions energy: -119.782
where: short stacking energy: -43.802
Base-Backbone interact. energy: -0.145
local terms energy: -57.446287
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -14.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -170.103748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.103748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.103748 (E_RNA)
where:
Base-Base interactions energy: -104.440
where: short stacking energy: -40.618
Base-Backbone interact. energy: -0.040
local terms energy: -65.623677
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -14.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -126.156724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.156724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.156724 (E_RNA)
where:
Base-Base interactions energy: -69.695
where: short stacking energy: -29.336
Base-Backbone interact. energy: -0.001
local terms energy: -56.460413
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -9.448
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: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -60.803112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.803112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.803112 (E_RNA)
where:
Base-Base interactions energy: -22.556
where: short stacking energy: -10.318
Base-Backbone interact. energy: 0.563
local terms energy: -38.809885
where:
bonds (distance) C4'-P energy: -8.975
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: 4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -69.243080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.243080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.243080 (E_RNA)
where:
Base-Base interactions energy: -19.984
where: short stacking energy: -19.905
Base-Backbone interact. energy: -0.245
local terms energy: -49.014536
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -8.602
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -8.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -58.324461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.324461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.324461 (E_RNA)
where:
Base-Base interactions energy: -17.494
where: short stacking energy: -17.188
Base-Backbone interact. energy: -0.100
local terms energy: -40.730000
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -6.503
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -4.245
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: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -61.928169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.928169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.928169 (E_RNA)
where:
Base-Base interactions energy: -18.527
where: short stacking energy: -18.527
Base-Backbone interact. energy: -0.057
local terms energy: -43.344341
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -2.887
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: 1, replica: 8
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -180.056087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.056087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.056087 (E_RNA)
where:
Base-Base interactions energy: -116.600
where: short stacking energy: -43.925
Base-Backbone interact. energy: -0.027
local terms energy: -63.428721
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -172.582736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.582736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.582736 (E_RNA)
where:
Base-Base interactions energy: -116.968
where: short stacking energy: -41.707
Base-Backbone interact. energy: -0.020
local terms energy: -55.594548
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -12.169
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: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -170.954970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.954970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.954970 (E_RNA)
where:
Base-Base interactions energy: -117.172
where: short stacking energy: -47.419
Base-Backbone interact. energy: -0.014
local terms energy: -53.768445
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -9.868
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -14.297
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: 4, replica: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -177.102001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.102001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.102001 (E_RNA)
where:
Base-Base interactions energy: -113.356
where: short stacking energy: -43.167
Base-Backbone interact. energy: -0.007
local terms energy: -63.738898
where:
bonds (distance) C4'-P energy: -9.628
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -12.601
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: 5, replica: 2
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -167.092124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.092124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.092124 (E_RNA)
where:
Base-Base interactions energy: -115.222
where: short stacking energy: -35.742
Base-Backbone interact. energy: -0.119
local terms energy: -51.751974
where:
bonds (distance) C4'-P energy: -5.556
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -11.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -147.126472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.126472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.126472 (E_RNA)
where:
Base-Base interactions energy: -95.918
where: short stacking energy: -34.689
Base-Backbone interact. energy: -0.690
local terms energy: -50.518702
where:
bonds (distance) C4'-P energy: -7.567
bonds (distance) P-C4' energy: -9.941
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -13.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -74.442310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.442310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.442310 (E_RNA)
where:
Base-Base interactions energy: -28.611
where: short stacking energy: -24.729
Base-Backbone interact. energy: -0.001
local terms energy: -45.831024
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -6.220
tors. eta vs tors. theta energy: -6.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -59.503646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.503646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.503646 (E_RNA)
where:
Base-Base interactions energy: -20.844
where: short stacking energy: -14.245
Base-Backbone interact. energy: 0.098
local terms energy: -38.757413
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -2.935
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: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -59.389175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.389175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.389175 (E_RNA)
where:
Base-Base interactions energy: -19.688
where: short stacking energy: -13.420
Base-Backbone interact. energy: -0.121
local terms energy: -39.580220
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -8.535
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -1.012
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: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -51.270858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.270858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.270858 (E_RNA)
where:
Base-Base interactions energy: -8.883
where: short stacking energy: -8.451
Base-Backbone interact. energy: -0.079
local terms energy: -42.308969
where:
bonds (distance) C4'-P energy: -8.850
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -0.470
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: 8
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -180.600505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.600505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.600505 (E_RNA)
where:
Base-Base interactions energy: -116.619
where: short stacking energy: -50.950
Base-Backbone interact. energy: -0.001
local terms energy: -63.980576
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -176.035870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.035870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.035870 (E_RNA)
where:
Base-Base interactions energy: -112.670
where: short stacking energy: -48.638
Base-Backbone interact. energy: -0.072
local terms energy: -63.293387
where:
bonds (distance) C4'-P energy: -8.375
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -18.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -171.070697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.070697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.070697 (E_RNA)
where:
Base-Base interactions energy: -108.974
where: short stacking energy: -37.403
Base-Backbone interact. energy: -0.001
local terms energy: -62.095198
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -18.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -172.623188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.623188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.623188 (E_RNA)
where:
Base-Base interactions energy: -110.261
where: short stacking energy: -40.546
Base-Backbone interact. energy: -0.170
local terms energy: -62.192489
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -10.855
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -170.518912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.518912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.518912 (E_RNA)
where:
Base-Base interactions energy: -108.845
where: short stacking energy: -42.395
Base-Backbone interact. energy: -0.015
local terms energy: -61.659333
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -163.053518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.053518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.053518 (E_RNA)
where:
Base-Base interactions energy: -104.732
where: short stacking energy: -39.676
Base-Backbone interact. energy: -0.036
local terms energy: -58.285365
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -6.601
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -62.719617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.719617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.719617 (E_RNA)
where:
Base-Base interactions energy: -21.389
where: short stacking energy: -9.876
Base-Backbone interact. energy: -0.224
local terms energy: -41.107192
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -6.626
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -0.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -71.150998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.150998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.150998 (E_RNA)
where:
Base-Base interactions energy: -31.010
where: short stacking energy: -10.033
Base-Backbone interact. energy: -0.248
local terms energy: -39.893640
where:
bonds (distance) C4'-P energy: -9.777
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -6.828
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -78.942732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.942732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.942732 (E_RNA)
where:
Base-Base interactions energy: -40.678
where: short stacking energy: -19.475
Base-Backbone interact. energy: -1.249
local terms energy: -37.016040
where:
bonds (distance) C4'-P energy: -6.427
bonds (distance) P-C4' energy: -9.069
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -0.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -51.907590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.907590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.907590 (E_RNA)
where:
Base-Base interactions energy: -16.302
where: short stacking energy: -13.554
Base-Backbone interact. energy: -0.327
local terms energy: -35.278255
where:
bonds (distance) C4'-P energy: -7.176
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -8.529
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: 0.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -180.328493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.328493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.328493 (E_RNA)
where:
Base-Base interactions energy: -116.842
where: short stacking energy: -46.152
Base-Backbone interact. energy: -0.004
local terms energy: -63.482035
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -18.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -177.941259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.941259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.941259 (E_RNA)
where:
Base-Base interactions energy: -114.646
where: short stacking energy: -45.751
Base-Backbone interact. energy: -0.010
local terms energy: -63.285005
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -174.790405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.790405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.790405 (E_RNA)
where:
Base-Base interactions energy: -115.931
where: short stacking energy: -47.794
Base-Backbone interact. energy: -0.013
local terms energy: -58.846030
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -6.684
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: 4, replica: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -168.218133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.218133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.218133 (E_RNA)
where:
Base-Base interactions energy: -108.516
where: short stacking energy: -35.699
Base-Backbone interact. energy: -0.252
local terms energy: -59.450507
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -11.730
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: 5, replica: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -169.053546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.053546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.053546 (E_RNA)
where:
Base-Base interactions energy: -112.206
where: short stacking energy: -41.475
Base-Backbone interact. energy: -0.051
local terms energy: -56.796687
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -8.515
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -17.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -167.677690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.677690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.677690 (E_RNA)
where:
Base-Base interactions energy: -108.329
where: short stacking energy: -41.672
Base-Backbone interact. energy: 0.167
local terms energy: -59.515536
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -86.336646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.336646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.336646 (E_RNA)
where:
Base-Base interactions energy: -42.961
where: short stacking energy: -19.495
Base-Backbone interact. energy: 0.264
local terms energy: -43.640000
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: 0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -61.216457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.216457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.216457 (E_RNA)
where:
Base-Base interactions energy: -17.580
where: short stacking energy: -11.665
Base-Backbone interact. energy: -0.883
local terms energy: -42.753244
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -4.466
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -61.141980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.141980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.141980 (E_RNA)
where:
Base-Base interactions energy: -28.361
where: short stacking energy: -20.797
Base-Backbone interact. energy: -0.014
local terms energy: -32.766766
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -5.003
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -78.644370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.644370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.644370 (E_RNA)
where:
Base-Base interactions energy: -32.382
where: short stacking energy: -19.596
Base-Backbone interact. energy: -0.015
local terms energy: -46.247551
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -1.120
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: 8
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -179.694097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.694097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.694097 (E_RNA)
where:
Base-Base interactions energy: -117.788
where: short stacking energy: -45.282
Base-Backbone interact. energy: -0.866
local terms energy: -61.040091
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -178.006189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.006189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.006189 (E_RNA)
where:
Base-Base interactions energy: -113.801
where: short stacking energy: -45.658
Base-Backbone interact. energy: -0.001
local terms energy: -64.204305
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -6.368
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: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -171.927198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.927198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.927198 (E_RNA)
where:
Base-Base interactions energy: -108.930
where: short stacking energy: -44.411
Base-Backbone interact. energy: -0.907
local terms energy: -62.089559
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -17.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -169.491831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.491831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.491831 (E_RNA)
where:
Base-Base interactions energy: -106.041
where: short stacking energy: -42.179
Base-Backbone interact. energy: -0.049
local terms energy: -63.402156
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -153.542581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.542581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.542581 (E_RNA)
where:
Base-Base interactions energy: -101.661
where: short stacking energy: -38.601
Base-Backbone interact. energy: -0.095
local terms energy: -51.786717
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -7.861
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -12.787
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: 1
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -161.523315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.523315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.523315 (E_RNA)
where:
Base-Base interactions energy: -106.840
where: short stacking energy: -41.594
Base-Backbone interact. energy: -0.023
local terms energy: -54.659693
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -8.389
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: 7, replica: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -83.032190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.032190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.032190 (E_RNA)
where:
Base-Base interactions energy: -34.657
where: short stacking energy: -16.595
Base-Backbone interact. energy: -0.172
local terms energy: -48.203390
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -4.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -69.311231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.311231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.311231 (E_RNA)
where:
Base-Base interactions energy: -26.416
where: short stacking energy: -15.050
Base-Backbone interact. energy: 0.966
local terms energy: -43.860985
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -7.671
flat angles P-C4'-P energy: -9.344
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: 9, replica: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -60.337697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.337697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.337697 (E_RNA)
where:
Base-Base interactions energy: -25.467
where: short stacking energy: -18.311
Base-Backbone interact. energy: -0.363
local terms energy: -34.507090
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -1.042
tors. eta vs tors. theta energy: -2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -74.420561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.420561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.420561 (E_RNA)
where:
Base-Base interactions energy: -33.477
where: short stacking energy: -11.378
Base-Backbone interact. energy: -0.044
local terms energy: -40.900329
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -8.661
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -179.204117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.204117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.204117 (E_RNA)
where:
Base-Base interactions energy: -120.803
where: short stacking energy: -48.279
Base-Backbone interact. energy: -0.485
local terms energy: -57.916090
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -9.636
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -176.975671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.975671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.975671 (E_RNA)
where:
Base-Base interactions energy: -115.235
where: short stacking energy: -44.437
Base-Backbone interact. energy: -0.247
local terms energy: -61.493616
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -175.097677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.097677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.097677 (E_RNA)
where:
Base-Base interactions energy: -114.088
where: short stacking energy: -50.755
Base-Backbone interact. energy: -0.033
local terms energy: -60.976829
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -8.214
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: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -172.454748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.454748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.454748 (E_RNA)
where:
Base-Base interactions energy: -112.846
where: short stacking energy: -46.520
Base-Backbone interact. energy: -0.018
local terms energy: -59.590366
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -167.543153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.543153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.543153 (E_RNA)
where:
Base-Base interactions energy: -110.005
where: short stacking energy: -41.618
Base-Backbone interact. energy: -0.039
local terms energy: -57.498454
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -122.643491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.643491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.643491 (E_RNA)
where:
Base-Base interactions energy: -71.010
where: short stacking energy: -27.484
Base-Backbone interact. energy: -1.053
local terms energy: -50.580436
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -5.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -67.457499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.457499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.457499 (E_RNA)
where:
Base-Base interactions energy: -30.994
where: short stacking energy: -15.387
Base-Backbone interact. energy: 1.471
local terms energy: -37.935128
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -7.217
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: 8, replica: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -64.619195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.619195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.619195 (E_RNA)
where:
Base-Base interactions energy: -29.053
where: short stacking energy: -8.179
Base-Backbone interact. energy: -0.887
local terms energy: -34.680024
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -9.304
flat angles C4'-P-C4' energy: -9.057
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: 2.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -56.605660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.605660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.605660 (E_RNA)
where:
Base-Base interactions energy: -19.139
where: short stacking energy: -9.473
Base-Backbone interact. energy: -0.417
local terms energy: -37.049982
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: 1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -59.928290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.928290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.928290 (E_RNA)
where:
Base-Base interactions energy: -20.739
where: short stacking energy: -12.843
Base-Backbone interact. energy: -0.428
local terms energy: -38.761276
where:
bonds (distance) C4'-P energy: -8.589
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: 3.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -186.079483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.079483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.079483 (E_RNA)
where:
Base-Base interactions energy: -119.288
where: short stacking energy: -50.948
Base-Backbone interact. energy: -0.010
local terms energy: -66.781216
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -18.516
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: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -182.073813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.073813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.073813 (E_RNA)
where:
Base-Base interactions energy: -113.274
where: short stacking energy: -45.332
Base-Backbone interact. energy: -0.245
local terms energy: -68.554507
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -16.312
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: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -174.953506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.953506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.953506 (E_RNA)
where:
Base-Base interactions energy: -119.650
where: short stacking energy: -44.677
Base-Backbone interact. energy: -0.318
local terms energy: -54.985517
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -4.435
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -167.861204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.861204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.861204 (E_RNA)
where:
Base-Base interactions energy: -108.536
where: short stacking energy: -42.880
Base-Backbone interact. energy: -0.403
local terms energy: -58.922106
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -9.336
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -15.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -165.956368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.956368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.956368 (E_RNA)
where:
Base-Base interactions energy: -106.073
where: short stacking energy: -43.501
Base-Backbone interact. energy: -0.390
local terms energy: -59.493269
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -7.925
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -147.412747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.412747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.412747 (E_RNA)
where:
Base-Base interactions energy: -93.711
where: short stacking energy: -37.594
Base-Backbone interact. energy: -0.035
local terms energy: -53.666819
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -66.817189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.817189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.817189 (E_RNA)
where:
Base-Base interactions energy: -27.547
where: short stacking energy: -24.165
Base-Backbone interact. energy: -0.157
local terms energy: -39.112664
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -9.826
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: 1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -59.056694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.056694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.056694 (E_RNA)
where:
Base-Base interactions energy: -15.357
where: short stacking energy: -12.680
Base-Backbone interact. energy: -0.024
local terms energy: -43.675534
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -9.422
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: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -55.046383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.046383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.046383 (E_RNA)
where:
Base-Base interactions energy: -28.896
where: short stacking energy: -5.459
Base-Backbone interact. energy: -0.315
local terms energy: -25.835255
where:
bonds (distance) C4'-P energy: -8.542
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -0.238
tors. eta vs tors. theta energy: 5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -63.811319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.811319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.811319 (E_RNA)
where:
Base-Base interactions energy: -19.531
where: short stacking energy: -17.000
Base-Backbone interact. energy: -0.453
local terms energy: -43.827301
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -7.141
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: 1, replica: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -180.080682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.080682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.080682 (E_RNA)
where:
Base-Base interactions energy: -115.493
where: short stacking energy: -49.165
Base-Backbone interact. energy: -0.009
local terms energy: -64.578934
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -176.645052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.645052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.645052 (E_RNA)
where:
Base-Base interactions energy: -112.493
where: short stacking energy: -43.023
Base-Backbone interact. energy: -1.257
local terms energy: -62.894454
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -11.450
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: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -175.161221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.161221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.161221 (E_RNA)
where:
Base-Base interactions energy: -116.670
where: short stacking energy: -43.409
Base-Backbone interact. energy: -0.045
local terms energy: -58.446333
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -7.087
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: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -175.590181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.590181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.590181 (E_RNA)
where:
Base-Base interactions energy: -114.001
where: short stacking energy: -43.677
Base-Backbone interact. energy: -0.523
local terms energy: -61.065924
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -12.002
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: 1
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -165.046534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.046534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.046534 (E_RNA)
where:
Base-Base interactions energy: -110.408
where: short stacking energy: -45.577
Base-Backbone interact. energy: -0.450
local terms energy: -54.189147
where:
bonds (distance) C4'-P energy: -6.713
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -7.008
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: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -158.479384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.479384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.479384 (E_RNA)
where:
Base-Base interactions energy: -107.778
where: short stacking energy: -45.263
Base-Backbone interact. energy: 1.944
local terms energy: -52.645696
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -9.157
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -5.904
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: 7, replica: 5
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -74.021516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.021516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.021516 (E_RNA)
where:
Base-Base interactions energy: -27.075
where: short stacking energy: -19.357
Base-Backbone interact. energy: 0.540
local terms energy: -47.486458
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -12.147
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -1.876
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: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -63.106824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.106824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.106824 (E_RNA)
where:
Base-Base interactions energy: -23.495
where: short stacking energy: -8.469
Base-Backbone interact. energy: -1.058
local terms energy: -38.553709
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -5.485
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -0.707
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: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -64.455527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.455527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.455527 (E_RNA)
where:
Base-Base interactions energy: -22.572
where: short stacking energy: -8.052
Base-Backbone interact. energy: -0.732
local terms energy: -41.151710
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -6.040
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -60.743063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.743063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.743063 (E_RNA)
where:
Base-Base interactions energy: -18.114
where: short stacking energy: -16.210
Base-Backbone interact. energy: -0.045
local terms energy: -42.583546
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -7.216
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: 0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -182.427072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.427072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.427072 (E_RNA)
where:
Base-Base interactions energy: -112.097
where: short stacking energy: -49.320
Base-Backbone interact. energy: -0.029
local terms energy: -70.300891
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -173.600274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.600274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.600274 (E_RNA)
where:
Base-Base interactions energy: -118.584
where: short stacking energy: -37.950
Base-Backbone interact. energy: -0.231
local terms energy: -54.784926
where:
bonds (distance) C4'-P energy: -8.542
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -172.148817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.148817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.148817 (E_RNA)
where:
Base-Base interactions energy: -114.355
where: short stacking energy: -38.843
Base-Backbone interact. energy: -0.177
local terms energy: -57.617133
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -11.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -170.710156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.710156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.710156 (E_RNA)
where:
Base-Base interactions energy: -111.881
where: short stacking energy: -43.126
Base-Backbone interact. energy: -0.001
local terms energy: -58.828979
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -6.404
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: 5, replica: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -171.129119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.129119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.129119 (E_RNA)
where:
Base-Base interactions energy: -116.852
where: short stacking energy: -33.214
Base-Backbone interact. energy: -0.047
local terms energy: -54.229901
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -7.290
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: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -155.666281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.666281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.666281 (E_RNA)
where:
Base-Base interactions energy: -97.701
where: short stacking energy: -34.640
Base-Backbone interact. energy: -0.018
local terms energy: -57.947672
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -10.030
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -11.635
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: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -64.797075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.797075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.797075 (E_RNA)
where:
Base-Base interactions energy: -29.870
where: short stacking energy: -21.811
Base-Backbone interact. energy: -0.109
local terms energy: -34.817709
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -7.784
flat angles P-C4'-P energy: -2.730
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -66.457567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.457567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.457567 (E_RNA)
where:
Base-Base interactions energy: -26.922
where: short stacking energy: -15.449
Base-Backbone interact. energy: 0.054
local terms energy: -39.589854
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -8.334
flat angles C4'-P-C4' energy: -9.330
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: 3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -77.599011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.599011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.599011 (E_RNA)
where:
Base-Base interactions energy: -38.739
where: short stacking energy: -17.999
Base-Backbone interact. energy: -0.235
local terms energy: -38.624612
where:
bonds (distance) C4'-P energy: -7.389
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -1.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -58.094601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.094601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.094601 (E_RNA)
where:
Base-Base interactions energy: -17.701
where: short stacking energy: -13.243
Base-Backbone interact. energy: -0.789
local terms energy: -39.604660
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -179.237229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.237229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.237229 (E_RNA)
where:
Base-Base interactions energy: -126.671
where: short stacking energy: -35.251
Base-Backbone interact. energy: -0.209
local terms energy: -52.357230
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -9.736
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -13.898
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: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -174.824833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.824833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.824833 (E_RNA)
where:
Base-Base interactions energy: -113.201
where: short stacking energy: -41.618
Base-Backbone interact. energy: -0.024
local terms energy: -61.599258
where:
bonds (distance) C4'-P energy: -10.167
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -173.148872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.148872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.148872 (E_RNA)
where:
Base-Base interactions energy: -119.216
where: short stacking energy: -48.459
Base-Backbone interact. energy: -0.005
local terms energy: -53.927629
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -9.012
flat angles C4'-P-C4' energy: -7.683
flat angles P-C4'-P energy: -8.519
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: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -174.325112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.325112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.325112 (E_RNA)
where:
Base-Base interactions energy: -116.955
where: short stacking energy: -42.192
Base-Backbone interact. energy: -0.286
local terms energy: -57.083941
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -7.034
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -14.022
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: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -167.161739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.161739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.161739 (E_RNA)
where:
Base-Base interactions energy: -105.922
where: short stacking energy: -44.526
Base-Backbone interact. energy: -0.001
local terms energy: -61.238609
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -8.500
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: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -147.079835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.079835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.079835 (E_RNA)
where:
Base-Base interactions energy: -86.378
where: short stacking energy: -37.690
Base-Backbone interact. energy: -0.463
local terms energy: -60.239162
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -12.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -63.429193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.429193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.429193 (E_RNA)
where:
Base-Base interactions energy: -16.012
where: short stacking energy: -15.178
Base-Backbone interact. energy: -0.292
local terms energy: -47.125537
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -10.760
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -64.732761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.732761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.732761 (E_RNA)
where:
Base-Base interactions energy: -19.264
where: short stacking energy: -19.264
Base-Backbone interact. energy: -1.075
local terms energy: -44.393729
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: -6.920
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: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -61.814153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.814153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.814153 (E_RNA)
where:
Base-Base interactions energy: -18.749
where: short stacking energy: -11.174
Base-Backbone interact. energy: -0.110
local terms energy: -42.954988
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -8.414
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -6.528
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: 4
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -69.834665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.834665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.834665 (E_RNA)
where:
Base-Base interactions energy: -31.083
where: short stacking energy: -8.259
Base-Backbone interact. energy: -0.085
local terms energy: -38.666653
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -9.347
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -179.374137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.374137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.374137 (E_RNA)
where:
Base-Base interactions energy: -114.640
where: short stacking energy: -48.175
Base-Backbone interact. energy: -0.001
local terms energy: -64.733153
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -179.772462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.772462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.772462 (E_RNA)
where:
Base-Base interactions energy: -117.632
where: short stacking energy: -44.325
Base-Backbone interact. energy: -0.028
local terms energy: -62.111869
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -9.394
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: 3, replica: 6
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -163.022533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.022533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.022533 (E_RNA)
where:
Base-Base interactions energy: -102.022
where: short stacking energy: -39.118
Base-Backbone interact. energy: -0.132
local terms energy: -60.868848
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -14.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -179.108942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.108942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.108942 (E_RNA)
where:
Base-Base interactions energy: -120.289
where: short stacking energy: -42.147
Base-Backbone interact. energy: -0.209
local terms energy: -58.610838
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -7.941
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: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -165.912998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.912998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.912998 (E_RNA)
where:
Base-Base interactions energy: -112.055
where: short stacking energy: -42.042
Base-Backbone interact. energy: -0.105
local terms energy: -53.752430
where:
bonds (distance) C4'-P energy: -4.603
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -9.947
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: 6, replica: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -163.657511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.657511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.657511 (E_RNA)
where:
Base-Base interactions energy: -101.751
where: short stacking energy: -35.414
Base-Backbone interact. energy: 0.583
local terms energy: -62.489327
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -9.535
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -10.565
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: 7, replica: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -65.170050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.170050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.170050 (E_RNA)
where:
Base-Base interactions energy: -20.929
where: short stacking energy: -15.982
Base-Backbone interact. energy: -1.224
local terms energy: -43.016955
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: 0.255
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: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -62.778834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.778834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.778834 (E_RNA)
where:
Base-Base interactions energy: -19.286
where: short stacking energy: -19.286
Base-Backbone interact. energy: -0.508
local terms energy: -42.984895
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -9.296
flat angles C4'-P-C4' energy: -9.136
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -62.121979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.121979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.121979 (E_RNA)
where:
Base-Base interactions energy: -18.347
where: short stacking energy: -16.058
Base-Backbone interact. energy: -0.259
local terms energy: -43.516555
where:
bonds (distance) C4'-P energy: -8.891
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -9.608
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -60.521730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.521730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.521730 (E_RNA)
where:
Base-Base interactions energy: -16.669
where: short stacking energy: -9.754
Base-Backbone interact. energy: -0.988
local terms energy: -42.865038
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -180.683153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.683153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.683153 (E_RNA)
where:
Base-Base interactions energy: -120.105
where: short stacking energy: -46.963
Base-Backbone interact. energy: -0.133
local terms energy: -60.444739
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -15.555
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: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -178.171628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.171628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.171628 (E_RNA)
where:
Base-Base interactions energy: -120.235
where: short stacking energy: -42.101
Base-Backbone interact. energy: -0.103
local terms energy: -57.833527
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -12.954
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: 3, replica: 6
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -172.918098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.918098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.918098 (E_RNA)
where:
Base-Base interactions energy: -109.342
where: short stacking energy: -41.286
Base-Backbone interact. energy: -0.118
local terms energy: -63.458801
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -169.824872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.824872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.824872 (E_RNA)
where:
Base-Base interactions energy: -107.949
where: short stacking energy: -41.688
Base-Backbone interact. energy: -1.018
local terms energy: -60.857922
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -165.196982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.196982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.196982 (E_RNA)
where:
Base-Base interactions energy: -105.865
where: short stacking energy: -46.423
Base-Backbone interact. energy: -0.010
local terms energy: -59.321993
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -159.443369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.443369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.443369 (E_RNA)
where:
Base-Base interactions energy: -100.453
where: short stacking energy: -40.984
Base-Backbone interact. energy: -0.234
local terms energy: -58.756245
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -67.271240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.271240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.271240 (E_RNA)
where:
Base-Base interactions energy: -34.090
where: short stacking energy: -15.346
Base-Backbone interact. energy: 1.971
local terms energy: -35.152223
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -9.233
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -4.831
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -69.563702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.563702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.563702 (E_RNA)
where:
Base-Base interactions energy: -28.986
where: short stacking energy: -15.260
Base-Backbone interact. energy: -0.405
local terms energy: -40.173135
where:
bonds (distance) C4'-P energy: -9.405
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -9.870
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: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -63.213883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.213883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.213883 (E_RNA)
where:
Base-Base interactions energy: -24.196
where: short stacking energy: -16.854
Base-Backbone interact. energy: 1.582
local terms energy: -40.599715
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -6.927
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -56.378378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.378378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.378378 (E_RNA)
where:
Base-Base interactions energy: -11.056
where: short stacking energy: -10.466
Base-Backbone interact. energy: -0.882
local terms energy: -44.440283
where:
bonds (distance) C4'-P energy: -12.182
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: 0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -183.366456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.366456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.366456 (E_RNA)
where:
Base-Base interactions energy: -120.076
where: short stacking energy: -50.533
Base-Backbone interact. energy: -0.012
local terms energy: -63.278244
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -174.161136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.161136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.161136 (E_RNA)
where:
Base-Base interactions energy: -111.686
where: short stacking energy: -43.886
Base-Backbone interact. energy: -0.002
local terms energy: -62.473502
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -174.148093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.148093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.148093 (E_RNA)
where:
Base-Base interactions energy: -110.223
where: short stacking energy: -42.053
Base-Backbone interact. energy: -0.089
local terms energy: -63.835338
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -7.230
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: 4, replica: 1
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -169.745173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.745173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.745173 (E_RNA)
where:
Base-Base interactions energy: -112.790
where: short stacking energy: -35.559
Base-Backbone interact. energy: -0.156
local terms energy: -56.799228
where:
bonds (distance) C4'-P energy: -7.836
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -12.421
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: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -170.872390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.872390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.872390 (E_RNA)
where:
Base-Base interactions energy: -117.950
where: short stacking energy: -43.825
Base-Backbone interact. energy: -0.132
local terms energy: -52.789593
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -163.788528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.788528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.788528 (E_RNA)
where:
Base-Base interactions energy: -112.117
where: short stacking energy: -47.021
Base-Backbone interact. energy: -0.003
local terms energy: -51.668453
where:
bonds (distance) C4'-P energy: -3.858
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -11.712
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: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -68.594877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.594877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.594877 (E_RNA)
where:
Base-Base interactions energy: -19.072
where: short stacking energy: -19.072
Base-Backbone interact. energy: -0.031
local terms energy: -49.492019
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -10.541
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -4.798
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: 271
Temperature: 1.250000
Total energy: -66.185048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.185048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.185048 (E_RNA)
where:
Base-Base interactions energy: -21.033
where: short stacking energy: -16.534
Base-Backbone interact. energy: -0.016
local terms energy: -45.136496
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -6.842
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -10.429
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: 9, replica: 3
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -64.704077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.704077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.704077 (E_RNA)
where:
Base-Base interactions energy: -23.793
where: short stacking energy: -14.988
Base-Backbone interact. energy: -0.077
local terms energy: -40.834346
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: 0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -56.545298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.545298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.545298 (E_RNA)
where:
Base-Base interactions energy: -17.748
where: short stacking energy: -17.748
Base-Backbone interact. energy: -0.015
local terms energy: -38.782472
where:
bonds (distance) C4'-P energy: -9.538
bonds (distance) P-C4' energy: -4.714
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -4.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -180.609879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.609879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.609879 (E_RNA)
where:
Base-Base interactions energy: -119.603
where: short stacking energy: -44.332
Base-Backbone interact. energy: -0.863
local terms energy: -60.143839
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -10.470
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: 2, replica: 6
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -178.506054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.506054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.506054 (E_RNA)
where:
Base-Base interactions energy: -116.692
where: short stacking energy: -49.811
Base-Backbone interact. energy: 0.244
local terms energy: -62.057779
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -8.328
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: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -173.122751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.122751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.122751 (E_RNA)
where:
Base-Base interactions energy: -114.738
where: short stacking energy: -46.628
Base-Backbone interact. energy: -0.148
local terms energy: -58.236993
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -12.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -172.308022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.308022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.308022 (E_RNA)
where:
Base-Base interactions energy: -114.636
where: short stacking energy: -36.856
Base-Backbone interact. energy: -0.053
local terms energy: -57.618550
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -14.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -170.876510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.876510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.876510 (E_RNA)
where:
Base-Base interactions energy: -112.125
where: short stacking energy: -40.874
Base-Backbone interact. energy: -0.048
local terms energy: -58.702760
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -14.805
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: 272
Temperature: 1.150000
Total energy: -166.667764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.667764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.667764 (E_RNA)
where:
Base-Base interactions energy: -107.757
where: short stacking energy: -40.778
Base-Backbone interact. energy: -0.001
local terms energy: -58.910140
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -13.738
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: 7, replica: 4
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -63.120302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.120302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.120302 (E_RNA)
where:
Base-Base interactions energy: -34.888
where: short stacking energy: -12.619
Base-Backbone interact. energy: -0.304
local terms energy: -27.928369
where:
bonds (distance) C4'-P energy: -2.388
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -3.785
flat angles P-C4'-P energy: -5.558
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: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -66.571783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.571783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.571783 (E_RNA)
where:
Base-Base interactions energy: -38.000
where: short stacking energy: -14.894
Base-Backbone interact. energy: 2.494
local terms energy: -31.065861
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -8.697
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -5.409
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: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -63.365940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.365940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.365940 (E_RNA)
where:
Base-Base interactions energy: -16.168
where: short stacking energy: -15.830
Base-Backbone interact. energy: -0.097
local terms energy: -47.100718
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -4.382
tors. eta vs tors. theta energy: -4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -55.557409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.557409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.557409 (E_RNA)
where:
Base-Base interactions energy: -16.082
where: short stacking energy: -15.488
Base-Backbone interact. energy: -0.125
local terms energy: -39.350795
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -8.675
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -181.289459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.289459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.289459 (E_RNA)
where:
Base-Base interactions energy: -118.761
where: short stacking energy: -49.774
Base-Backbone interact. energy: -0.031
local terms energy: -62.497515
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -9.781
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: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -169.125791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.125791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.125791 (E_RNA)
where:
Base-Base interactions energy: -111.632
where: short stacking energy: -43.939
Base-Backbone interact. energy: -0.014
local terms energy: -57.479409
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -11.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -173.519107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.519107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.519107 (E_RNA)
where:
Base-Base interactions energy: -112.002
where: short stacking energy: -44.919
Base-Backbone interact. energy: -0.060
local terms energy: -61.457242
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -9.216
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: 4, replica: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -176.242854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.242854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.242854 (E_RNA)
where:
Base-Base interactions energy: -110.409
where: short stacking energy: -44.490
Base-Backbone interact. energy: -0.050
local terms energy: -65.783132
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -14.534
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: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -146.280909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.280909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.280909 (E_RNA)
where:
Base-Base interactions energy: -93.151
where: short stacking energy: -37.454
Base-Backbone interact. energy: -0.427
local terms energy: -52.702527
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -167.802697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.802697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.802697 (E_RNA)
where:
Base-Base interactions energy: -113.740
where: short stacking energy: -41.177
Base-Backbone interact. energy: -0.870
local terms energy: -53.192707
where:
bonds (distance) C4'-P energy: -7.895
bonds (distance) P-C4' energy: -8.366
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -9.216
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: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -64.891728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.891728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.891728 (E_RNA)
where:
Base-Base interactions energy: -16.984
where: short stacking energy: -16.984
Base-Backbone interact. energy: -0.095
local terms energy: -47.812636
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -9.687
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -69.120448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.120448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.120448 (E_RNA)
where:
Base-Base interactions energy: -26.289
where: short stacking energy: -26.289
Base-Backbone interact. energy: -0.414
local terms energy: -42.417154
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -4.383
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: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -70.659120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.659120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.659120 (E_RNA)
where:
Base-Base interactions energy: -33.471
where: short stacking energy: -10.594
Base-Backbone interact. energy: -0.192
local terms energy: -36.995568
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -9.558
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -4.927
tors. eta vs tors. theta energy: -0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -64.350772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.350772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.350772 (E_RNA)
where:
Base-Base interactions energy: -25.293
where: short stacking energy: -16.738
Base-Backbone interact. energy: -0.177
local terms energy: -38.880411
where:
bonds (distance) C4'-P energy: -9.049
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -4.522
tors. eta vs tors. theta energy: -3.037
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: 274
Temperature: 0.900000
Total energy: -176.749646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.749646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.749646 (E_RNA)
where:
Base-Base interactions energy: -111.303
where: short stacking energy: -45.681
Base-Backbone interact. energy: -0.007
local terms energy: -65.439541
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -179.549051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.549051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.549051 (E_RNA)
where:
Base-Base interactions energy: -121.940
where: short stacking energy: -43.931
Base-Backbone interact. energy: -0.096
local terms energy: -57.513061
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -175.075348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.075348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.075348 (E_RNA)
where:
Base-Base interactions energy: -108.088
where: short stacking energy: -47.359
Base-Backbone interact. energy: -0.026
local terms energy: -66.961532
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -10.707
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -173.926782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.926782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.926782 (E_RNA)
where:
Base-Base interactions energy: -108.065
where: short stacking energy: -37.916
Base-Backbone interact. energy: -0.438
local terms energy: -65.423893
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -17.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -168.498311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.498311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.498311 (E_RNA)
where:
Base-Base interactions energy: -107.531
where: short stacking energy: -42.094
Base-Backbone interact. energy: -0.690
local terms energy: -60.277185
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -16.464
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: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -144.915937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.915937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.915937 (E_RNA)
where:
Base-Base interactions energy: -100.454
where: short stacking energy: -39.236
Base-Backbone interact. energy: 1.693
local terms energy: -46.155160
where:
bonds (distance) C4'-P energy: -10.415
bonds (distance) P-C4' energy: -7.728
flat angles C4'-P-C4' energy: -8.021
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -10.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -72.910888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.910888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.910888 (E_RNA)
where:
Base-Base interactions energy: -30.985
where: short stacking energy: -24.687
Base-Backbone interact. energy: -0.086
local terms energy: -41.839045
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -5.927
flat angles P-C4'-P energy: -8.369
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: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -66.495961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.495961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.495961 (E_RNA)
where:
Base-Base interactions energy: -29.526
where: short stacking energy: -15.324
Base-Backbone interact. energy: -0.112
local terms energy: -36.857872
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -4.720
flat angles P-C4'-P energy: -5.692
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: 5
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -57.752572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.752572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.752572 (E_RNA)
where:
Base-Base interactions energy: -12.594
where: short stacking energy: -7.092
Base-Backbone interact. energy: -0.146
local terms energy: -45.012694
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -60.867215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.867215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.867215 (E_RNA)
where:
Base-Base interactions energy: -23.088
where: short stacking energy: -13.243
Base-Backbone interact. energy: 1.251
local terms energy: -39.030281
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -11.278
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: 0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -183.266323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.266323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.266323 (E_RNA)
where:
Base-Base interactions energy: -122.537
where: short stacking energy: -49.566
Base-Backbone interact. energy: -0.007
local terms energy: -60.722701
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -17.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -176.892314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.892314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.892314 (E_RNA)
where:
Base-Base interactions energy: -115.274
where: short stacking energy: -41.572
Base-Backbone interact. energy: -0.074
local terms energy: -61.544159
where:
bonds (distance) C4'-P energy: -13.284
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -9.762
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: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -174.198118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.198118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.198118 (E_RNA)
where:
Base-Base interactions energy: -117.314
where: short stacking energy: -47.582
Base-Backbone interact. energy: -0.009
local terms energy: -56.875226
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -6.955
tors. eta vs tors. theta energy: -14.994
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: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -181.984994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.984994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.984994 (E_RNA)
where:
Base-Base interactions energy: -113.353
where: short stacking energy: -42.866
Base-Backbone interact. energy: -0.500
local terms energy: -68.131639
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -16.795
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: 5, replica: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -147.655457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.655457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.655457 (E_RNA)
where:
Base-Base interactions energy: -92.335
where: short stacking energy: -34.999
Base-Backbone interact. energy: -0.037
local terms energy: -55.283636
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -97.158683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.158683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.158683 (E_RNA)
where:
Base-Base interactions energy: -54.333
where: short stacking energy: -12.293
Base-Backbone interact. energy: -0.087
local terms energy: -42.739254
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -10.292
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: 1.527
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: 275
Temperature: 1.200000
Total energy: -132.706101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.706101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.706101 (E_RNA)
where:
Base-Base interactions energy: -84.815
where: short stacking energy: -29.841
Base-Backbone interact. energy: -0.578
local terms energy: -47.313854
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -8.176
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -10.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -64.081834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.081834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.081834 (E_RNA)
where:
Base-Base interactions energy: -22.807
where: short stacking energy: -10.500
Base-Backbone interact. energy: -0.187
local terms energy: -41.088269
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -6.095
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: 275
Temperature: 1.300000
Total energy: -65.608490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.608490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.608490 (E_RNA)
where:
Base-Base interactions energy: -18.708
where: short stacking energy: -13.356
Base-Backbone interact. energy: -0.204
local terms energy: -46.696079
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -58.259240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.259240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.259240 (E_RNA)
where:
Base-Base interactions energy: -20.906
where: short stacking energy: -7.607
Base-Backbone interact. energy: -0.137
local terms energy: -37.216214
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: 4.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -182.522874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.522874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.522874 (E_RNA)
where:
Base-Base interactions energy: -118.080
where: short stacking energy: -52.507
Base-Backbone interact. energy: -0.003
local terms energy: -64.439474
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -11.625
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -9.746
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: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -178.710997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.710997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.710997 (E_RNA)
where:
Base-Base interactions energy: -116.711
where: short stacking energy: -49.716
Base-Backbone interact. energy: -0.600
local terms energy: -61.399528
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -14.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -169.807922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.807922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.807922 (E_RNA)
where:
Base-Base interactions energy: -108.561
where: short stacking energy: -33.547
Base-Backbone interact. energy: -0.043
local terms energy: -61.203484
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -8.781
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: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -159.019149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.019149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.019149 (E_RNA)
where:
Base-Base interactions energy: -103.510
where: short stacking energy: -35.098
Base-Backbone interact. energy: -0.062
local terms energy: -55.446682
where:
bonds (distance) C4'-P energy: -8.450
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -12.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -166.595968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.595968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.595968 (E_RNA)
where:
Base-Base interactions energy: -101.253
where: short stacking energy: -39.716
Base-Backbone interact. energy: -0.223
local terms energy: -65.119565
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -9.470
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: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -72.518020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.518020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.518020 (E_RNA)
where:
Base-Base interactions energy: -28.802
where: short stacking energy: -21.950
Base-Backbone interact. energy: -1.182
local terms energy: -42.534689
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -65.329815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.329815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.329815 (E_RNA)
where:
Base-Base interactions energy: -24.130
where: short stacking energy: -17.288
Base-Backbone interact. energy: -0.188
local terms energy: -41.011451
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -8.997
flat angles P-C4'-P energy: -7.690
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: 8, replica: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -75.063500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.063500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.063500 (E_RNA)
where:
Base-Base interactions energy: -31.220
where: short stacking energy: -10.266
Base-Backbone interact. energy: -0.464
local terms energy: -43.379668
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -7.448
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -2.350
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: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -68.744562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.744562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.744562 (E_RNA)
where:
Base-Base interactions energy: -17.278
where: short stacking energy: -14.046
Base-Backbone interact. energy: -0.029
local terms energy: -51.437971
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -67.339047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.339047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.339047 (E_RNA)
where:
Base-Base interactions energy: -33.130
where: short stacking energy: -8.888
Base-Backbone interact. energy: 0.049
local terms energy: -34.258627
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -4.728
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: 2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -182.076052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.076052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.076052 (E_RNA)
where:
Base-Base interactions energy: -115.903
where: short stacking energy: -48.841
Base-Backbone interact. energy: -0.795
local terms energy: -65.378393
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -18.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -174.065328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.065328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.065328 (E_RNA)
where:
Base-Base interactions energy: -112.247
where: short stacking energy: -43.416
Base-Backbone interact. energy: -0.132
local terms energy: -61.686267
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -8.193
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: 3, replica: 1
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -176.902266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.902266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.902266 (E_RNA)
where:
Base-Base interactions energy: -113.117
where: short stacking energy: -50.128
Base-Backbone interact. energy: -0.005
local terms energy: -63.780244
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -13.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -170.782845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.782845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.782845 (E_RNA)
where:
Base-Base interactions energy: -111.481
where: short stacking energy: -44.757
Base-Backbone interact. energy: -0.311
local terms energy: -58.991128
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -162.882264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.882264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.882264 (E_RNA)
where:
Base-Base interactions energy: -110.228
where: short stacking energy: -41.488
Base-Backbone interact. energy: -0.626
local terms energy: -52.028274
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -9.620
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -8.041
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: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -81.784151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.784151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.784151 (E_RNA)
where:
Base-Base interactions energy: -41.050
where: short stacking energy: -12.834
Base-Backbone interact. energy: -0.127
local terms energy: -40.606709
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -9.909
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: -3.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -67.357141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.357141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.357141 (E_RNA)
where:
Base-Base interactions energy: -22.374
where: short stacking energy: -22.374
Base-Backbone interact. energy: -0.093
local terms energy: -44.889861
where:
bonds (distance) C4'-P energy: -8.134
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -74.315911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.315911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.315911 (E_RNA)
where:
Base-Base interactions energy: -32.415
where: short stacking energy: -22.155
Base-Backbone interact. energy: -0.716
local terms energy: -41.185268
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -5.511
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: 9, replica: 2
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -66.671088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.671088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.671088 (E_RNA)
where:
Base-Base interactions energy: -32.618
where: short stacking energy: -13.808
Base-Backbone interact. energy: -1.147
local terms energy: -32.906242
where:
bonds (distance) C4'-P energy: -7.729
bonds (distance) P-C4' energy: -9.532
flat angles C4'-P-C4' energy: -7.476
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -57.197016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.197016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.197016 (E_RNA)
where:
Base-Base interactions energy: -19.325
where: short stacking energy: -17.098
Base-Backbone interact. energy: -0.165
local terms energy: -37.706865
where:
bonds (distance) C4'-P energy: -5.152
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -182.491176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.491176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.491176 (E_RNA)
where:
Base-Base interactions energy: -115.116
where: short stacking energy: -49.178
Base-Backbone interact. energy: -0.011
local terms energy: -67.364066
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -11.962
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: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -178.702323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.702323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.702323 (E_RNA)
where:
Base-Base interactions energy: -112.460
where: short stacking energy: -43.102
Base-Backbone interact. energy: -0.068
local terms energy: -66.175013
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -14.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -175.990665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.990665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.990665 (E_RNA)
where:
Base-Base interactions energy: -114.454
where: short stacking energy: -43.420
Base-Backbone interact. energy: -0.061
local terms energy: -61.476014
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -6.028
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: 1
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -171.786491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.786491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.786491 (E_RNA)
where:
Base-Base interactions energy: -111.083
where: short stacking energy: -46.357
Base-Backbone interact. energy: -0.630
local terms energy: -60.073452
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -149.702101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.702101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.702101 (E_RNA)
where:
Base-Base interactions energy: -91.984
where: short stacking energy: -36.523
Base-Backbone interact. energy: -0.109
local terms energy: -57.609960
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -11.529
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -75.813761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.813761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.813761 (E_RNA)
where:
Base-Base interactions energy: -32.316
where: short stacking energy: -21.777
Base-Backbone interact. energy: -0.283
local terms energy: -43.214822
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -81.683398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.683398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.683398 (E_RNA)
where:
Base-Base interactions energy: -32.981
where: short stacking energy: -19.334
Base-Backbone interact. energy: -0.009
local terms energy: -48.692893
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -6.546
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: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -59.296667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.296667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.296667 (E_RNA)
where:
Base-Base interactions energy: -26.039
where: short stacking energy: -17.287
Base-Backbone interact. energy: -0.143
local terms energy: -33.113798
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -7.453
flat angles C4'-P-C4' energy: -10.217
flat angles P-C4'-P energy: -3.367
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: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -59.432065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.432065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.432065 (E_RNA)
where:
Base-Base interactions energy: -25.149
where: short stacking energy: -13.378
Base-Backbone interact. energy: -0.992
local terms energy: -33.291565
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -9.635
flat angles P-C4'-P energy: -2.852
tors. eta vs tors. theta energy: 2.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -64.428971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.428971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.428971 (E_RNA)
where:
Base-Base interactions energy: -27.570
where: short stacking energy: -20.785
Base-Backbone interact. energy: -0.486
local terms energy: -36.373129
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -8.344
flat angles C4'-P-C4' energy: -8.923
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -2.770
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: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -182.926790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.926790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.926790 (E_RNA)
where:
Base-Base interactions energy: -122.749
where: short stacking energy: -41.051
Base-Backbone interact. energy: -0.044
local terms energy: -60.133743
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -16.466
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: 6
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -178.195442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.195442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.195442 (E_RNA)
where:
Base-Base interactions energy: -118.218
where: short stacking energy: -40.563
Base-Backbone interact. energy: -0.109
local terms energy: -59.868957
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -179.534101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.534101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.534101 (E_RNA)
where:
Base-Base interactions energy: -115.376
where: short stacking energy: -44.780
Base-Backbone interact. energy: -0.177
local terms energy: -63.981119
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -18.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -172.372784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.372784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.372784 (E_RNA)
where:
Base-Base interactions energy: -111.511
where: short stacking energy: -49.567
Base-Backbone interact. energy: -0.019
local terms energy: -60.842829
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -7.097
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -16.818
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: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -169.952910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.952910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.952910 (E_RNA)
where:
Base-Base interactions energy: -112.123
where: short stacking energy: -48.673
Base-Backbone interact. energy: -0.027
local terms energy: -57.802768
where:
bonds (distance) C4'-P energy: -6.947
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -8.567
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: 6, replica: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -65.786115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.786115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.786115 (E_RNA)
where:
Base-Base interactions energy: -29.717
where: short stacking energy: -17.577
Base-Backbone interact. energy: -0.278
local terms energy: -35.791825
where:
bonds (distance) C4'-P energy: -8.341
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -7.304
flat angles P-C4'-P energy: -5.133
tors. eta vs tors. theta energy: -0.787
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: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -69.833191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.833191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.833191 (E_RNA)
where:
Base-Base interactions energy: -34.077
where: short stacking energy: -6.557
Base-Backbone interact. energy: -0.303
local terms energy: -35.453017
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -8.540
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -6.572
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: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -76.399513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.399513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.399513 (E_RNA)
where:
Base-Base interactions energy: -36.945
where: short stacking energy: -25.331
Base-Backbone interact. energy: -0.087
local terms energy: -39.367562
where:
bonds (distance) C4'-P energy: -8.995
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -8.043
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -59.030986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.030986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.030986 (E_RNA)
where:
Base-Base interactions energy: -28.800
where: short stacking energy: -17.935
Base-Backbone interact. energy: 0.605
local terms energy: -30.835868
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -8.620
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: 0.089
tors. eta vs tors. theta energy: -1.690
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: 2
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -53.492098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.492098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.492098 (E_RNA)
where:
Base-Base interactions energy: -18.100
where: short stacking energy: -7.264
Base-Backbone interact. energy: -0.294
local terms energy: -35.097763
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -8.911
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: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -180.428672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.428672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.428672 (E_RNA)
where:
Base-Base interactions energy: -122.478
where: short stacking energy: -44.973
Base-Backbone interact. energy: 1.918
local terms energy: -59.868625
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -14.245
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: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -176.767672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.767672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.767672 (E_RNA)
where:
Base-Base interactions energy: -115.234
where: short stacking energy: -47.046
Base-Backbone interact. energy: -0.044
local terms energy: -61.489512
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -12.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -179.006003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.006003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.006003 (E_RNA)
where:
Base-Base interactions energy: -121.263
where: short stacking energy: -42.302
Base-Backbone interact. energy: -0.652
local terms energy: -57.090777
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -175.964469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.964469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.964469 (E_RNA)
where:
Base-Base interactions energy: -119.037
where: short stacking energy: -50.114
Base-Backbone interact. energy: -0.126
local terms energy: -56.801970
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -6.345
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: 5, replica: 1
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -169.494283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.494283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.494283 (E_RNA)
where:
Base-Base interactions energy: -111.597
where: short stacking energy: -40.295
Base-Backbone interact. energy: -0.080
local terms energy: -57.817115
where:
bonds (distance) C4'-P energy: -7.386
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -6.883
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: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -76.982331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.982331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.982331 (E_RNA)
where:
Base-Base interactions energy: -27.725
where: short stacking energy: -27.725
Base-Backbone interact. energy: -0.070
local terms energy: -49.187691
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -8.176
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: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -69.750535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.750535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.750535 (E_RNA)
where:
Base-Base interactions energy: -29.960
where: short stacking energy: -15.299
Base-Backbone interact. energy: -0.080
local terms energy: -39.710171
where:
bonds (distance) C4'-P energy: -6.616
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -7.357
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: 8, replica: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -61.068893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.068893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.068893 (E_RNA)
where:
Base-Base interactions energy: -17.478
where: short stacking energy: -14.877
Base-Backbone interact. energy: -0.114
local terms energy: -43.477461
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: 3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -58.169276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.169276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.169276 (E_RNA)
where:
Base-Base interactions energy: -25.436
where: short stacking energy: -5.661
Base-Backbone interact. energy: -0.055
local terms energy: -32.678409
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -8.294
flat angles P-C4'-P energy: -3.029
tors. eta vs tors. theta energy: 4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -59.540185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.540185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.540185 (E_RNA)
where:
Base-Base interactions energy: -15.179
where: short stacking energy: -14.760
Base-Backbone interact. energy: -0.013
local terms energy: -44.348051
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -3.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -184.340565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.340565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.340565 (E_RNA)
where:
Base-Base interactions energy: -122.617
where: short stacking energy: -39.529
Base-Backbone interact. energy: -0.109
local terms energy: -61.614172
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -13.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -172.205650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.205650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.205650 (E_RNA)
where:
Base-Base interactions energy: -115.157
where: short stacking energy: -49.287
Base-Backbone interact. energy: -0.042
local terms energy: -57.006271
where:
bonds (distance) C4'-P energy: -5.998
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -9.716
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: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -170.220489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.220489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.220489 (E_RNA)
where:
Base-Base interactions energy: -110.311
where: short stacking energy: -39.424
Base-Backbone interact. energy: -0.037
local terms energy: -59.872090
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -170.086546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.086546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.086546 (E_RNA)
where:
Base-Base interactions energy: -108.164
where: short stacking energy: -44.613
Base-Backbone interact. energy: -0.400
local terms energy: -61.522808
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -9.545
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: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -163.570328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.570328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.570328 (E_RNA)
where:
Base-Base interactions energy: -107.559
where: short stacking energy: -38.195
Base-Backbone interact. energy: -0.067
local terms energy: -55.943821
where:
bonds (distance) C4'-P energy: -8.842
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -69.909422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.909422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.909422 (E_RNA)
where:
Base-Base interactions energy: -35.544
where: short stacking energy: -12.531
Base-Backbone interact. energy: -0.089
local terms energy: -34.276250
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -7.589
flat angles P-C4'-P energy: -2.354
tors. eta vs tors. theta energy: 1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -71.842097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.842097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.842097 (E_RNA)
where:
Base-Base interactions energy: -21.890
where: short stacking energy: -19.666
Base-Backbone interact. energy: -1.195
local terms energy: -48.756793
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -7.811
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -7.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -66.223412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.223412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.223412 (E_RNA)
where:
Base-Base interactions energy: -28.504
where: short stacking energy: -17.642
Base-Backbone interact. energy: -0.127
local terms energy: -37.591929
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: 0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -64.775142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.775142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.775142 (E_RNA)
where:
Base-Base interactions energy: -16.730
where: short stacking energy: -16.730
Base-Backbone interact. energy: -0.042
local terms energy: -48.003016
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -8.365
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -6.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -55.570661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.570661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.570661 (E_RNA)
where:
Base-Base interactions energy: -19.132
where: short stacking energy: -13.322
Base-Backbone interact. energy: -0.051
local terms energy: -36.387990
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -0.960
tors. eta vs tors. theta energy: -0.608
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: 1, replica: 6
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -179.117385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.117385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.117385 (E_RNA)
where:
Base-Base interactions energy: -117.168
where: short stacking energy: -32.936
Base-Backbone interact. energy: -0.296
local terms energy: -61.653634
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -11.383
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: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -182.085364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.085364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.085364 (E_RNA)
where:
Base-Base interactions energy: -116.314
where: short stacking energy: -49.634
Base-Backbone interact. energy: -0.009
local terms energy: -65.762467
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -10.177
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: 3, replica: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -170.466446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.466446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.466446 (E_RNA)
where:
Base-Base interactions energy: -103.974
where: short stacking energy: -42.031
Base-Backbone interact. energy: -0.007
local terms energy: -66.484587
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -11.080
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: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -171.311780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.311780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.311780 (E_RNA)
where:
Base-Base interactions energy: -112.059
where: short stacking energy: -37.715
Base-Backbone interact. energy: 0.117
local terms energy: -59.369791
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -13.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -137.660713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.660713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.660713 (E_RNA)
where:
Base-Base interactions energy: -86.798
where: short stacking energy: -33.980
Base-Backbone interact. energy: -0.335
local terms energy: -50.527062
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -8.815
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -9.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -61.827687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.827687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.827687 (E_RNA)
where:
Base-Base interactions energy: -21.828
where: short stacking energy: -13.424
Base-Backbone interact. energy: -0.095
local terms energy: -39.904608
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -10.499
flat angles P-C4'-P energy: -6.404
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: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -75.206920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.206920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.206920 (E_RNA)
where:
Base-Base interactions energy: -26.627
where: short stacking energy: -16.619
Base-Backbone interact. energy: -0.299
local terms energy: -48.280908
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -8.054
flat angles P-C4'-P energy: -11.676
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: 8, replica: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -61.029891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.029891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.029891 (E_RNA)
where:
Base-Base interactions energy: -17.743
where: short stacking energy: -14.625
Base-Backbone interact. energy: -0.391
local terms energy: -42.895353
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -7.376
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -1.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -61.325591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.325591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.325591 (E_RNA)
where:
Base-Base interactions energy: -29.467
where: short stacking energy: -10.019
Base-Backbone interact. energy: -0.227
local terms energy: -31.632350
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -7.723
flat angles P-C4'-P energy: -2.857
tors. eta vs tors. theta energy: 1.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -60.514455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.514455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.514455 (E_RNA)
where:
Base-Base interactions energy: -23.123
where: short stacking energy: -17.511
Base-Backbone interact. energy: -0.908
local terms energy: -36.484049
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -4.173
tors. eta vs tors. theta energy: -1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -183.765910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.765910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.765910 (E_RNA)
where:
Base-Base interactions energy: -124.972
where: short stacking energy: -42.314
Base-Backbone interact. energy: -0.074
local terms energy: -58.719967
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -15.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -178.011409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.011409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.011409 (E_RNA)
where:
Base-Base interactions energy: -110.663
where: short stacking energy: -44.597
Base-Backbone interact. energy: -0.013
local terms energy: -67.335632
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -17.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -166.077690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.077690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.077690 (E_RNA)
where:
Base-Base interactions energy: -106.998
where: short stacking energy: -39.562
Base-Backbone interact. energy: -0.591
local terms energy: -58.488630
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -171.088115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.088115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.088115 (E_RNA)
where:
Base-Base interactions energy: -111.420
where: short stacking energy: -37.230
Base-Backbone interact. energy: -0.169
local terms energy: -59.498574
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -149.644392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.644392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.644392 (E_RNA)
where:
Base-Base interactions energy: -95.481
where: short stacking energy: -31.784
Base-Backbone interact. energy: -0.870
local terms energy: -53.293033
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: -11.318
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: 283
Temperature: 1.150000
Total energy: -85.962514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.962514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.962514 (E_RNA)
where:
Base-Base interactions energy: -36.095
where: short stacking energy: -25.357
Base-Backbone interact. energy: -0.066
local terms energy: -49.800834
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -9.590
flat angles P-C4'-P energy: -7.734
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: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -62.539642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.539642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.539642 (E_RNA)
where:
Base-Base interactions energy: -22.143
where: short stacking energy: -18.536
Base-Backbone interact. energy: -0.078
local terms energy: -40.318859
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -9.397
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -1.618
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: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -67.440278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.440278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.440278 (E_RNA)
where:
Base-Base interactions energy: -27.164
where: short stacking energy: -23.121
Base-Backbone interact. energy: 1.659
local terms energy: -41.935114
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -57.983545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.983545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.983545 (E_RNA)
where:
Base-Base interactions energy: -14.870
where: short stacking energy: -11.399
Base-Backbone interact. energy: 0.191
local terms energy: -43.304103
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -9.970
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: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -68.725931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.725931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.725931 (E_RNA)
where:
Base-Base interactions energy: -23.662
where: short stacking energy: -16.951
Base-Backbone interact. energy: -0.050
local terms energy: -45.014389
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -5.504
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: 1, replica: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -184.777424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.777424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.777424 (E_RNA)
where:
Base-Base interactions energy: -116.889
where: short stacking energy: -53.558
Base-Backbone interact. energy: -0.044
local terms energy: -67.845082
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -176.124802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.124802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.124802 (E_RNA)
where:
Base-Base interactions energy: -114.845
where: short stacking energy: -47.391
Base-Backbone interact. energy: -0.059
local terms energy: -61.220193
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -177.351945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.351945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.351945 (E_RNA)
where:
Base-Base interactions energy: -116.609
where: short stacking energy: -48.663
Base-Backbone interact. energy: -1.017
local terms energy: -59.726532
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -164.591636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.591636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.591636 (E_RNA)
where:
Base-Base interactions energy: -106.632
where: short stacking energy: -40.141
Base-Backbone interact. energy: -0.329
local terms energy: -57.630980
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -10.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -159.569791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.569791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.569791 (E_RNA)
where:
Base-Base interactions energy: -106.513
where: short stacking energy: -41.535
Base-Backbone interact. energy: -0.034
local terms energy: -53.023064
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -2.878
tors. eta vs tors. theta energy: -14.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -72.746161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.746161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.746161 (E_RNA)
where:
Base-Base interactions energy: -20.854
where: short stacking energy: -17.079
Base-Backbone interact. energy: -0.098
local terms energy: -51.794373
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -5.941
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: 284
Temperature: 1.200000
Total energy: -77.787200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.787200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.787200 (E_RNA)
where:
Base-Base interactions energy: -35.802
where: short stacking energy: -16.736
Base-Backbone interact. energy: -0.103
local terms energy: -41.882327
where:
bonds (distance) C4'-P energy: -6.361
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -8.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -62.293747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.293747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.293747 (E_RNA)
where:
Base-Base interactions energy: -16.610
where: short stacking energy: -16.610
Base-Backbone interact. energy: -0.008
local terms energy: -45.675595
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -6.971
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -6.566
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: 9, replica: 5
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -54.148674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.148674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.148674 (E_RNA)
where:
Base-Base interactions energy: -21.734
where: short stacking energy: -19.257
Base-Backbone interact. energy: -0.110
local terms energy: -32.304589
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -0.509
tors. eta vs tors. theta energy: -0.606
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: 2
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -57.240813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.240813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.240813 (E_RNA)
where:
Base-Base interactions energy: -18.033
where: short stacking energy: -13.678
Base-Backbone interact. energy: -0.139
local terms energy: -39.069062
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -9.625
flat angles C4'-P-C4' energy: -6.651
flat angles P-C4'-P energy: -4.537
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: 1, replica: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -182.480920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.480920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.480920 (E_RNA)
where:
Base-Base interactions energy: -118.165
where: short stacking energy: -52.173
Base-Backbone interact. energy: -0.011
local terms energy: -64.305767
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -10.684
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -16.724
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: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -168.351016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.351016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.351016 (E_RNA)
where:
Base-Base interactions energy: -110.392
where: short stacking energy: -42.642
Base-Backbone interact. energy: -0.009
local terms energy: -57.949367
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -6.498
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: 6
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -178.584799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.584799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.584799 (E_RNA)
where:
Base-Base interactions energy: -119.587
where: short stacking energy: -45.124
Base-Backbone interact. energy: -0.001
local terms energy: -58.997408
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -171.607182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.607182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.607182 (E_RNA)
where:
Base-Base interactions energy: -109.760
where: short stacking energy: -41.602
Base-Backbone interact. energy: -0.420
local terms energy: -61.426886
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -174.606781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.606781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.606781 (E_RNA)
where:
Base-Base interactions energy: -115.292
where: short stacking energy: -47.026
Base-Backbone interact. energy: -0.050
local terms energy: -59.264999
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -67.080243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.080243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.080243 (E_RNA)
where:
Base-Base interactions energy: -27.599
where: short stacking energy: -11.437
Base-Backbone interact. energy: -0.908
local terms energy: -38.573478
where:
bonds (distance) C4'-P energy: -6.792
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -1.186
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: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -94.536580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.536580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.536580 (E_RNA)
where:
Base-Base interactions energy: -50.963
where: short stacking energy: -22.724
Base-Backbone interact. energy: -0.214
local terms energy: -43.359219
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -58.731769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.731769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.731769 (E_RNA)
where:
Base-Base interactions energy: -18.048
where: short stacking energy: -14.517
Base-Backbone interact. energy: -0.101
local terms energy: -40.582425
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -3.856
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: 3
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -70.415043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.415043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.415043 (E_RNA)
where:
Base-Base interactions energy: -28.854
where: short stacking energy: -9.138
Base-Backbone interact. energy: 0.014
local terms energy: -41.574876
where:
bonds (distance) C4'-P energy: -8.403
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -60.026421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.026421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.026421 (E_RNA)
where:
Base-Base interactions energy: -25.039
where: short stacking energy: -6.301
Base-Backbone interact. energy: -0.329
local terms energy: -34.658247
where:
bonds (distance) C4'-P energy: -5.860
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -8.606
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: 1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -179.852597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.852597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.852597 (E_RNA)
where:
Base-Base interactions energy: -116.687
where: short stacking energy: -38.543
Base-Backbone interact. energy: -0.668
local terms energy: -62.497218
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -8.882
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: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -167.738110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.738110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.738110 (E_RNA)
where:
Base-Base interactions energy: -106.348
where: short stacking energy: -39.483
Base-Backbone interact. energy: -0.009
local terms energy: -61.381372
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -14.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -172.388516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.388516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.388516 (E_RNA)
where:
Base-Base interactions energy: -122.966
where: short stacking energy: -37.793
Base-Backbone interact. energy: -0.397
local terms energy: -49.025663
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -6.071
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -10.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -161.881171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.881171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.881171 (E_RNA)
where:
Base-Base interactions energy: -106.907
where: short stacking energy: -43.051
Base-Backbone interact. energy: -0.031
local terms energy: -54.943382
where:
bonds (distance) C4'-P energy: -8.786
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -8.959
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: 5, replica: 9
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -162.554306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.554306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.554306 (E_RNA)
where:
Base-Base interactions energy: -103.578
where: short stacking energy: -42.730
Base-Backbone interact. energy: -0.011
local terms energy: -58.965454
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -78.941982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.941982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.941982 (E_RNA)
where:
Base-Base interactions energy: -29.413
where: short stacking energy: -15.653
Base-Backbone interact. energy: 0.175
local terms energy: -49.704347
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -64.522720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.522720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.522720 (E_RNA)
where:
Base-Base interactions energy: -26.685
where: short stacking energy: -16.757
Base-Backbone interact. energy: -0.094
local terms energy: -37.743699
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -7.444
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: 1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -75.529694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.529694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.529694 (E_RNA)
where:
Base-Base interactions energy: -32.127
where: short stacking energy: -18.909
Base-Backbone interact. energy: -0.101
local terms energy: -43.301963
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -7.681
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -75.584569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.584569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.584569 (E_RNA)
where:
Base-Base interactions energy: -25.166
where: short stacking energy: -25.166
Base-Backbone interact. energy: -0.377
local terms energy: -50.041385
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -7.729
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: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -57.902628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.902628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.902628 (E_RNA)
where:
Base-Base interactions energy: -15.518
where: short stacking energy: -9.207
Base-Backbone interact. energy: 0.344
local terms energy: -42.727885
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -9.345
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -178.780615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.780615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.780615 (E_RNA)
where:
Base-Base interactions energy: -112.887
where: short stacking energy: -40.901
Base-Backbone interact. energy: -0.528
local terms energy: -65.365483
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -13.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -177.444419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.444419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.444419 (E_RNA)
where:
Base-Base interactions energy: -112.973
where: short stacking energy: -45.103
Base-Backbone interact. energy: -0.025
local terms energy: -64.446351
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -12.472
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -16.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -174.715687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.715687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.715687 (E_RNA)
where:
Base-Base interactions energy: -115.129
where: short stacking energy: -37.206
Base-Backbone interact. energy: -0.152
local terms energy: -59.433904
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -170.689839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.689839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.689839 (E_RNA)
where:
Base-Base interactions energy: -111.544
where: short stacking energy: -38.963
Base-Backbone interact. energy: -0.149
local terms energy: -58.996539
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -10.472
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -11.421
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: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -148.785539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.785539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.785539 (E_RNA)
where:
Base-Base interactions energy: -94.811
where: short stacking energy: -31.704
Base-Backbone interact. energy: -0.164
local terms energy: -53.810334
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -8.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -76.825591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.825591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.825591 (E_RNA)
where:
Base-Base interactions energy: -29.140
where: short stacking energy: -28.155
Base-Backbone interact. energy: -0.025
local terms energy: -47.660767
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -73.328361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.328361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.328361 (E_RNA)
where:
Base-Base interactions energy: -32.426
where: short stacking energy: -23.800
Base-Backbone interact. energy: -0.103
local terms energy: -40.799738
where:
bonds (distance) C4'-P energy: -7.328
bonds (distance) P-C4' energy: -8.554
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -2.587
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: 2
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -81.920430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.920430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.920430 (E_RNA)
where:
Base-Base interactions energy: -42.323
where: short stacking energy: -13.291
Base-Backbone interact. energy: -0.124
local terms energy: -39.472970
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -11.065
flat angles C4'-P-C4' energy: -8.249
flat angles P-C4'-P energy: -8.296
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: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -78.185731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.185731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.185731 (E_RNA)
where:
Base-Base interactions energy: -34.409
where: short stacking energy: -12.640
Base-Backbone interact. energy: -1.239
local terms energy: -42.537434
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -3.862
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: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -61.838049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.838049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.838049 (E_RNA)
where:
Base-Base interactions energy: -23.564
where: short stacking energy: -19.523
Base-Backbone interact. energy: -0.559
local terms energy: -37.715722
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -8.580
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: 0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -182.248227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.248227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.248227 (E_RNA)
where:
Base-Base interactions energy: -114.262
where: short stacking energy: -44.037
Base-Backbone interact. energy: -0.005
local terms energy: -67.981129
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -10.308
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: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -182.904658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.904658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.904658 (E_RNA)
where:
Base-Base interactions energy: -117.607
where: short stacking energy: -49.657
Base-Backbone interact. energy: -0.202
local terms energy: -65.095794
where:
bonds (distance) C4'-P energy: -8.854
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -17.309
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: 3, replica: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -172.321479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.321479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.321479 (E_RNA)
where:
Base-Base interactions energy: -109.843
where: short stacking energy: -39.049
Base-Backbone interact. energy: -0.101
local terms energy: -62.377635
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -11.548
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: 4, replica: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -173.754417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.754417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.754417 (E_RNA)
where:
Base-Base interactions energy: -116.052
where: short stacking energy: -45.351
Base-Backbone interact. energy: -0.297
local terms energy: -57.405490
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -12.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -159.256192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.256192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.256192 (E_RNA)
where:
Base-Base interactions energy: -103.102
where: short stacking energy: -39.779
Base-Backbone interact. energy: -0.004
local terms energy: -56.150408
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -76.754746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.754746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.754746 (E_RNA)
where:
Base-Base interactions energy: -29.280
where: short stacking energy: -15.011
Base-Backbone interact. energy: -0.215
local terms energy: -47.260073
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -9.031
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -80.811198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.811198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.811198 (E_RNA)
where:
Base-Base interactions energy: -42.223
where: short stacking energy: -15.803
Base-Backbone interact. energy: 0.304
local terms energy: -38.892029
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -10.185
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -59.870107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.870107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.870107 (E_RNA)
where:
Base-Base interactions energy: -18.857
where: short stacking energy: -12.311
Base-Backbone interact. energy: -0.102
local terms energy: -40.910888
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -3.244
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: 9, replica: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -59.208863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.208863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.208863 (E_RNA)
where:
Base-Base interactions energy: -19.375
where: short stacking energy: -8.665
Base-Backbone interact. energy: -0.300
local terms energy: -39.532958
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: 2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -47.589078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -47.589078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -47.589078 (E_RNA)
where:
Base-Base interactions energy: -11.196
where: short stacking energy: -11.196
Base-Backbone interact. energy: -1.331
local terms energy: -35.062568
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -8.592
flat angles C4'-P-C4' energy: -7.681
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -0.616
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: 289
Temperature: 0.900000
Total energy: -183.546910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.546910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.546910 (E_RNA)
where:
Base-Base interactions energy: -118.607
where: short stacking energy: -49.850
Base-Backbone interact. energy: -0.002
local terms energy: -64.938176
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -7.028
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: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -172.871463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.871463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.871463 (E_RNA)
where:
Base-Base interactions energy: -113.599
where: short stacking energy: -45.811
Base-Backbone interact. energy: -0.007
local terms energy: -59.265527
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -177.503601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.503601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.503601 (E_RNA)
where:
Base-Base interactions energy: -110.622
where: short stacking energy: -41.503
Base-Backbone interact. energy: -0.003
local terms energy: -66.878410
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -10.983
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: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -165.617052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.617052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.617052 (E_RNA)
where:
Base-Base interactions energy: -108.956
where: short stacking energy: -44.990
Base-Backbone interact. energy: -0.004
local terms energy: -56.656782
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -10.196
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -7.198
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: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -172.946833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.946833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.946833 (E_RNA)
where:
Base-Base interactions energy: -112.423
where: short stacking energy: -44.795
Base-Backbone interact. energy: 1.524
local terms energy: -62.047646
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -8.780
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: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -71.990646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.990646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.990646 (E_RNA)
where:
Base-Base interactions energy: -29.759
where: short stacking energy: -12.379
Base-Backbone interact. energy: -0.344
local terms energy: -41.887507
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -9.846
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -5.430
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: 7, replica: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -61.865279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.865279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.865279 (E_RNA)
where:
Base-Base interactions energy: -16.513
where: short stacking energy: -8.066
Base-Backbone interact. energy: -0.076
local terms energy: -45.276466
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -0.391
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: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -59.900341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.900341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.900341 (E_RNA)
where:
Base-Base interactions energy: -25.481
where: short stacking energy: -13.016
Base-Backbone interact. energy: 0.092
local terms energy: -34.511407
where:
bonds (distance) C4'-P energy: -8.685
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: 1.078
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: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -60.995633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.995633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.995633 (E_RNA)
where:
Base-Base interactions energy: -31.228
where: short stacking energy: -11.531
Base-Backbone interact. energy: -0.518
local terms energy: -29.250268
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -4.183
flat angles P-C4'-P energy: -1.909
tors. eta vs tors. theta energy: -1.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -59.368765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.368765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.368765 (E_RNA)
where:
Base-Base interactions energy: -25.279
where: short stacking energy: -21.819
Base-Backbone interact. energy: -0.103
local terms energy: -33.987047
where:
bonds (distance) C4'-P energy: -5.729
bonds (distance) P-C4' energy: -6.952
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -5.676
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: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -182.711722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.711722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.711722 (E_RNA)
where:
Base-Base interactions energy: -122.410
where: short stacking energy: -42.533
Base-Backbone interact. energy: -0.202
local terms energy: -60.099683
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -12.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -175.880602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.880602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.880602 (E_RNA)
where:
Base-Base interactions energy: -126.202
where: short stacking energy: -45.725
Base-Backbone interact. energy: -0.015
local terms energy: -49.662750
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -10.775
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -4.086
tors. eta vs tors. theta energy: -11.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -169.212753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.212753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.212753 (E_RNA)
where:
Base-Base interactions energy: -115.543
where: short stacking energy: -36.887
Base-Backbone interact. energy: 1.374
local terms energy: -55.043870
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -170.226100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.226100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.226100 (E_RNA)
where:
Base-Base interactions energy: -114.373
where: short stacking energy: -43.337
Base-Backbone interact. energy: -0.045
local terms energy: -55.808300
where:
bonds (distance) C4'-P energy: -7.653
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -8.180
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: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -167.524166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.524166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.524166 (E_RNA)
where:
Base-Base interactions energy: -109.431
where: short stacking energy: -43.614
Base-Backbone interact. energy: -0.191
local terms energy: -57.902205
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -74.087161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.087161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.087161 (E_RNA)
where:
Base-Base interactions energy: -39.882
where: short stacking energy: -13.933
Base-Backbone interact. energy: -0.320
local terms energy: -33.885110
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: 4.438
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: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -83.799889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.799889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.799889 (E_RNA)
where:
Base-Base interactions energy: -36.948
where: short stacking energy: -12.604
Base-Backbone interact. energy: -0.342
local terms energy: -46.510196
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -8.098
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: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -67.835160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.835160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.835160 (E_RNA)
where:
Base-Base interactions energy: -29.400
where: short stacking energy: -14.024
Base-Backbone interact. energy: 0.112
local terms energy: -38.547876
where:
bonds (distance) C4'-P energy: -8.201
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -5.777
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: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -54.997804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.997804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.997804 (E_RNA)
where:
Base-Base interactions energy: -14.374
where: short stacking energy: -11.080
Base-Backbone interact. energy: -0.867
local terms energy: -39.756842
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -7.087
flat angles P-C4'-P energy: -8.047
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: 10, replica: 4
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -56.171573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.171573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.171573 (E_RNA)
where:
Base-Base interactions energy: -22.928
where: short stacking energy: -19.313
Base-Backbone interact. energy: 2.678
local terms energy: -35.920972
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -9.689
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -4.044
tors. eta vs tors. theta energy: 1.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -184.095838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.095838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.095838 (E_RNA)
where:
Base-Base interactions energy: -117.820
where: short stacking energy: -44.389
Base-Backbone interact. energy: -1.018
local terms energy: -65.258088
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -16.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -179.375918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.375918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.375918 (E_RNA)
where:
Base-Base interactions energy: -119.580
where: short stacking energy: -42.731
Base-Backbone interact. energy: -0.007
local terms energy: -59.788905
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -13.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -176.470213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.470213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.470213 (E_RNA)
where:
Base-Base interactions energy: -113.470
where: short stacking energy: -41.482
Base-Backbone interact. energy: -0.003
local terms energy: -62.998004
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -14.580
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: 4, replica: 1
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -173.303208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.303208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.303208 (E_RNA)
where:
Base-Base interactions energy: -116.308
where: short stacking energy: -41.962
Base-Backbone interact. energy: -0.017
local terms energy: -56.979024
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -171.164580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.164580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.164580 (E_RNA)
where:
Base-Base interactions energy: -113.710
where: short stacking energy: -46.678
Base-Backbone interact. energy: -0.032
local terms energy: -57.422167
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -15.939
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: 3
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -95.995583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.995583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.995583 (E_RNA)
where:
Base-Base interactions energy: -58.103
where: short stacking energy: -14.413
Base-Backbone interact. energy: -0.296
local terms energy: -37.597003
where:
bonds (distance) C4'-P energy: -7.683
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -8.800
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -70.517010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.517010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.517010 (E_RNA)
where:
Base-Base interactions energy: -36.656
where: short stacking energy: -19.162
Base-Backbone interact. energy: -0.398
local terms energy: -33.463577
where:
bonds (distance) C4'-P energy: -8.035
bonds (distance) P-C4' energy: -8.292
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -72.384213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.384213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.384213 (E_RNA)
where:
Base-Base interactions energy: -26.921
where: short stacking energy: -25.167
Base-Backbone interact. energy: -0.082
local terms energy: -45.381830
where:
bonds (distance) C4'-P energy: -8.391
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -64.509230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.509230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.509230 (E_RNA)
where:
Base-Base interactions energy: -29.259
where: short stacking energy: -11.101
Base-Backbone interact. energy: -0.252
local terms energy: -34.998484
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -8.266
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: 3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -56.825385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.825385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.825385 (E_RNA)
where:
Base-Base interactions energy: -13.802
where: short stacking energy: -13.802
Base-Backbone interact. energy: -0.068
local terms energy: -42.955731
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: 2.070
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: 1, replica: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -176.147861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.147861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.147861 (E_RNA)
where:
Base-Base interactions energy: -119.446
where: short stacking energy: -44.734
Base-Backbone interact. energy: -0.196
local terms energy: -56.505706
where:
bonds (distance) C4'-P energy: -9.520
bonds (distance) P-C4' energy: -10.581
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -13.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -175.933412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.933412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.933412 (E_RNA)
where:
Base-Base interactions energy: -111.920
where: short stacking energy: -43.512
Base-Backbone interact. energy: -0.051
local terms energy: -63.962669
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -10.405
flat angles P-C4'-P energy: -9.513
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: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -176.256736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.256736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.256736 (E_RNA)
where:
Base-Base interactions energy: -120.267
where: short stacking energy: -44.358
Base-Backbone interact. energy: -0.396
local terms energy: -55.593480
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -174.933329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.933329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.933329 (E_RNA)
where:
Base-Base interactions energy: -121.696
where: short stacking energy: -39.517
Base-Backbone interact. energy: -0.050
local terms energy: -53.187306
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -9.202
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -10.065
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: 5, replica: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -174.228610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.228610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.228610 (E_RNA)
where:
Base-Base interactions energy: -116.909
where: short stacking energy: -44.951
Base-Backbone interact. energy: -0.100
local terms energy: -57.219678
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -5.371
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -78.786673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.786673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.786673 (E_RNA)
where:
Base-Base interactions energy: -33.626
where: short stacking energy: -21.923
Base-Backbone interact. energy: -1.289
local terms energy: -43.871840
where:
bonds (distance) C4'-P energy: -9.066
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -4.962
tors. eta vs tors. theta energy: -5.353
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: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -74.708553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.708553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.708553 (E_RNA)
where:
Base-Base interactions energy: -41.735
where: short stacking energy: -18.679
Base-Backbone interact. energy: -1.193
local terms energy: -31.780832
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -9.015
flat angles C4'-P-C4' energy: -3.949
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: 0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -58.507709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.507709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.507709 (E_RNA)
where:
Base-Base interactions energy: -23.108
where: short stacking energy: -17.168
Base-Backbone interact. energy: -0.142
local terms energy: -35.258027
where:
bonds (distance) C4'-P energy: -6.589
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -4.814
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: 9, replica: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -61.732849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.732849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.732849 (E_RNA)
where:
Base-Base interactions energy: -17.329
where: short stacking energy: -10.972
Base-Backbone interact. energy: -0.827
local terms energy: -43.576101
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -80.298322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.298322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.298322 (E_RNA)
where:
Base-Base interactions energy: -33.150
where: short stacking energy: -24.507
Base-Backbone interact. energy: -0.907
local terms energy: -46.241850
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -10.201
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -8.086
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: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -179.561641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.561641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.561641 (E_RNA)
where:
Base-Base interactions energy: -115.425
where: short stacking energy: -44.866
Base-Backbone interact. energy: 0.504
local terms energy: -64.639958
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -178.785605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.785605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.785605 (E_RNA)
where:
Base-Base interactions energy: -120.592
where: short stacking energy: -39.096
Base-Backbone interact. energy: -0.306
local terms energy: -57.887858
where:
bonds (distance) C4'-P energy: -11.259
bonds (distance) P-C4' energy: -10.962
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -13.433
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: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -176.182158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.182158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.182158 (E_RNA)
where:
Base-Base interactions energy: -114.627
where: short stacking energy: -42.538
Base-Backbone interact. energy: -0.316
local terms energy: -61.238518
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -176.399408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.399408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.399408 (E_RNA)
where:
Base-Base interactions energy: -109.538
where: short stacking energy: -45.384
Base-Backbone interact. energy: -0.048
local terms energy: -66.813664
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -18.160
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: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -165.385861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.385861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.385861 (E_RNA)
where:
Base-Base interactions energy: -112.822
where: short stacking energy: -44.482
Base-Backbone interact. energy: -0.001
local terms energy: -52.563090
where:
bonds (distance) C4'-P energy: -8.979
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -79.819095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.819095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.819095 (E_RNA)
where:
Base-Base interactions energy: -37.078
where: short stacking energy: -18.650
Base-Backbone interact. energy: -0.069
local terms energy: -42.672471
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -69.156600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.156600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.156600 (E_RNA)
where:
Base-Base interactions energy: -26.704
where: short stacking energy: -14.790
Base-Backbone interact. energy: -0.830
local terms energy: -41.622037
where:
bonds (distance) C4'-P energy: -8.383
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -1.141
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: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -62.974879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.974879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.974879 (E_RNA)
where:
Base-Base interactions energy: -24.216
where: short stacking energy: -7.323
Base-Backbone interact. energy: -1.422
local terms energy: -37.336252
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -2.712
tors. eta vs tors. theta energy: 0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -68.487212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.487212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.487212 (E_RNA)
where:
Base-Base interactions energy: -30.428
where: short stacking energy: -16.418
Base-Backbone interact. energy: -0.120
local terms energy: -37.939247
where:
bonds (distance) C4'-P energy: -5.231
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -7.523
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -64.608529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.608529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.608529 (E_RNA)
where:
Base-Base interactions energy: -27.153
where: short stacking energy: -13.488
Base-Backbone interact. energy: -0.033
local terms energy: -37.422673
where:
bonds (distance) C4'-P energy: -4.963
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -185.280017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.280017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.280017 (E_RNA)
where:
Base-Base interactions energy: -124.731
where: short stacking energy: -39.291
Base-Backbone interact. energy: -0.289
local terms energy: -60.259711
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -13.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -173.142882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.142882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.142882 (E_RNA)
where:
Base-Base interactions energy: -112.140
where: short stacking energy: -50.468
Base-Backbone interact. energy: -0.003
local terms energy: -61.000651
where:
bonds (distance) C4'-P energy: -5.706
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -17.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -174.651726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.651726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.651726 (E_RNA)
where:
Base-Base interactions energy: -111.707
where: short stacking energy: -44.261
Base-Backbone interact. energy: -0.412
local terms energy: -62.532550
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -8.318
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: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -176.256852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.256852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.256852 (E_RNA)
where:
Base-Base interactions energy: -112.681
where: short stacking energy: -48.005
Base-Backbone interact. energy: -0.008
local terms energy: -63.567322
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -16.428
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: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -167.352467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.352467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.352467 (E_RNA)
where:
Base-Base interactions energy: -111.008
where: short stacking energy: -40.252
Base-Backbone interact. energy: -0.180
local terms energy: -56.164813
where:
bonds (distance) C4'-P energy: -5.420
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -8.541
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: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -91.560780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.560780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.560780 (E_RNA)
where:
Base-Base interactions energy: -49.540
where: short stacking energy: -14.236
Base-Backbone interact. energy: -0.930
local terms energy: -41.090331
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -4.968
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -70.303024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.303024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.303024 (E_RNA)
where:
Base-Base interactions energy: -28.811
where: short stacking energy: -14.444
Base-Backbone interact. energy: -0.244
local terms energy: -41.248345
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -8.297
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -0.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -66.558416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.558416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.558416 (E_RNA)
where:
Base-Base interactions energy: -20.951
where: short stacking energy: -13.284
Base-Backbone interact. energy: -0.208
local terms energy: -45.398616
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -10.307
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: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -65.993758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.993758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.993758 (E_RNA)
where:
Base-Base interactions energy: -29.089
where: short stacking energy: -17.706
Base-Backbone interact. energy: -0.033
local terms energy: -36.871648
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -6.029
flat angles P-C4'-P energy: -7.026
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: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -67.369670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.369670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.369670 (E_RNA)
where:
Base-Base interactions energy: -31.438
where: short stacking energy: -19.676
Base-Backbone interact. energy: -0.051
local terms energy: -35.880320
where:
bonds (distance) C4'-P energy: -7.719
bonds (distance) P-C4' energy: -8.431
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -5.213
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: 1, replica: 7
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -183.963071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.963071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.963071 (E_RNA)
where:
Base-Base interactions energy: -118.703
where: short stacking energy: -54.398
Base-Backbone interact. energy: -0.011
local terms energy: -65.248986
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -11.775
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: 295
Temperature: 0.950000
Total energy: -182.240391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.240391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.240391 (E_RNA)
where:
Base-Base interactions energy: -127.497
where: short stacking energy: -52.118
Base-Backbone interact. energy: -0.017
local terms energy: -54.726327
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -6.817
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -17.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -174.118005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.118005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.118005 (E_RNA)
where:
Base-Base interactions energy: -116.608
where: short stacking energy: -45.198
Base-Backbone interact. energy: -0.275
local terms energy: -57.235309
where:
bonds (distance) C4'-P energy: -9.157
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -8.616
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: 4, replica: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -174.824964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.824964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.824964 (E_RNA)
where:
Base-Base interactions energy: -112.195
where: short stacking energy: -44.423
Base-Backbone interact. energy: -0.011
local terms energy: -62.619019
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -8.207
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: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -169.639803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.639803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.639803 (E_RNA)
where:
Base-Base interactions energy: -113.062
where: short stacking energy: -44.019
Base-Backbone interact. energy: -0.087
local terms energy: -56.490609
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -14.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -102.568431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.568431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.568431 (E_RNA)
where:
Base-Base interactions energy: -58.279
where: short stacking energy: -16.495
Base-Backbone interact. energy: -0.095
local terms energy: -44.194921
where:
bonds (distance) C4'-P energy: -7.843
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -65.409297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.409297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.409297 (E_RNA)
where:
Base-Base interactions energy: -23.787
where: short stacking energy: -23.787
Base-Backbone interact. energy: -0.021
local terms energy: -41.602098
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: 0.296
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -62.200510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.200510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.200510 (E_RNA)
where:
Base-Base interactions energy: -28.065
where: short stacking energy: -8.643
Base-Backbone interact. energy: 1.679
local terms energy: -35.815001
where:
bonds (distance) C4'-P energy: -6.453
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -8.134
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -64.929724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.929724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.929724 (E_RNA)
where:
Base-Base interactions energy: -24.470
where: short stacking energy: -22.092
Base-Backbone interact. energy: -0.203
local terms energy: -40.256072
where:
bonds (distance) C4'-P energy: -7.500
bonds (distance) P-C4' energy: -9.735
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -57.293524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.293524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.293524 (E_RNA)
where:
Base-Base interactions energy: -11.615
where: short stacking energy: -11.615
Base-Backbone interact. energy: -0.342
local terms energy: -45.336410
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -181.562613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.562613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.562613 (E_RNA)
where:
Base-Base interactions energy: -125.954
where: short stacking energy: -41.539
Base-Backbone interact. energy: -0.124
local terms energy: -55.483757
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -13.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -177.681169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.681169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.681169 (E_RNA)
where:
Base-Base interactions energy: -115.297
where: short stacking energy: -47.400
Base-Backbone interact. energy: -0.004
local terms energy: -62.379828
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -178.431891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.431891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.431891 (E_RNA)
where:
Base-Base interactions energy: -116.878
where: short stacking energy: -48.717
Base-Backbone interact. energy: -0.007
local terms energy: -61.547556
where:
bonds (distance) C4'-P energy: -8.871
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -172.930565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.930565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.930565 (E_RNA)
where:
Base-Base interactions energy: -111.038
where: short stacking energy: -45.128
Base-Backbone interact. energy: 2.050
local terms energy: -63.942381
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -15.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -169.184118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.184118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.184118 (E_RNA)
where:
Base-Base interactions energy: -110.934
where: short stacking energy: -40.642
Base-Backbone interact. energy: -0.002
local terms energy: -58.247963
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -13.715
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: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -82.930662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.930662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.930662 (E_RNA)
where:
Base-Base interactions energy: -40.091
where: short stacking energy: -17.679
Base-Backbone interact. energy: 0.824
local terms energy: -43.663507
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -8.685
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -9.007
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: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -71.436392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.436392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.436392 (E_RNA)
where:
Base-Base interactions energy: -28.454
where: short stacking energy: -21.474
Base-Backbone interact. energy: -0.044
local terms energy: -42.937910
where:
bonds (distance) C4'-P energy: -8.226
bonds (distance) P-C4' energy: -7.675
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -5.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -68.300980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.300980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.300980 (E_RNA)
where:
Base-Base interactions energy: -27.359
where: short stacking energy: -26.142
Base-Backbone interact. energy: -0.051
local terms energy: -40.891343
where:
bonds (distance) C4'-P energy: -4.913
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -5.883
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: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -65.898139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.898139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.898139 (E_RNA)
where:
Base-Base interactions energy: -33.505
where: short stacking energy: -11.818
Base-Backbone interact. energy: -0.020
local terms energy: -32.373444
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -5.580
flat angles P-C4'-P energy: -4.307
tors. eta vs tors. theta energy: 1.611
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: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -60.253448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.253448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.253448 (E_RNA)
where:
Base-Base interactions energy: -23.084
where: short stacking energy: -10.953
Base-Backbone interact. energy: -0.539
local terms energy: -36.631342
where:
bonds (distance) C4'-P energy: -7.346
bonds (distance) P-C4' energy: -11.193
flat angles C4'-P-C4' energy: -8.156
flat angles P-C4'-P energy: -8.791
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: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -180.530102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.530102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.530102 (E_RNA)
where:
Base-Base interactions energy: -119.102
where: short stacking energy: -48.555
Base-Backbone interact. energy: -0.005
local terms energy: -61.423360
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -175.873835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.873835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.873835 (E_RNA)
where:
Base-Base interactions energy: -114.919
where: short stacking energy: -48.120
Base-Backbone interact. energy: -0.636
local terms energy: -60.318265
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -8.176
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -17.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -169.124447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.124447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.124447 (E_RNA)
where:
Base-Base interactions energy: -110.086
where: short stacking energy: -44.178
Base-Backbone interact. energy: -0.012
local terms energy: -59.026240
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -175.387102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.387102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.387102 (E_RNA)
where:
Base-Base interactions energy: -112.575
where: short stacking energy: -42.554
Base-Backbone interact. energy: -0.009
local terms energy: -62.803023
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -14.712
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: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -131.736341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.736341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.736341 (E_RNA)
where:
Base-Base interactions energy: -82.018
where: short stacking energy: -32.550
Base-Backbone interact. energy: -1.362
local terms energy: -48.355646
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -7.585
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: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -75.376766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.376766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.376766 (E_RNA)
where:
Base-Base interactions energy: -37.445
where: short stacking energy: -20.013
Base-Backbone interact. energy: -0.364
local terms energy: -37.567949
where:
bonds (distance) C4'-P energy: -7.682
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -9.401
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: 0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -69.506254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.506254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.506254 (E_RNA)
where:
Base-Base interactions energy: -26.473
where: short stacking energy: -13.260
Base-Backbone interact. energy: -0.765
local terms energy: -42.268016
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -61.033266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.033266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.033266 (E_RNA)
where:
Base-Base interactions energy: -20.747
where: short stacking energy: -10.832
Base-Backbone interact. energy: -1.598
local terms energy: -38.687464
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -3.111
tors. eta vs tors. theta energy: 0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -64.322318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.322318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.322318 (E_RNA)
where:
Base-Base interactions energy: -18.371
where: short stacking energy: -9.798
Base-Backbone interact. energy: -0.649
local terms energy: -45.302256
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -1.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -60.950106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.950106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.950106 (E_RNA)
where:
Base-Base interactions energy: -18.170
where: short stacking energy: -18.170
Base-Backbone interact. energy: -0.038
local terms energy: -42.741514
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -6.099
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: 1, replica: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -181.741236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.741236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.741236 (E_RNA)
where:
Base-Base interactions energy: -117.657
where: short stacking energy: -50.985
Base-Backbone interact. energy: -1.054
local terms energy: -63.029359
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -10.571
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: 2, replica: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -177.391967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.391967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.391967 (E_RNA)
where:
Base-Base interactions energy: -113.113
where: short stacking energy: -48.039
Base-Backbone interact. energy: -0.004
local terms energy: -64.274819
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -169.821592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.821592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.821592 (E_RNA)
where:
Base-Base interactions energy: -107.250
where: short stacking energy: -35.544
Base-Backbone interact. energy: -0.578
local terms energy: -61.993516
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -13.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -170.908353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.908353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.908353 (E_RNA)
where:
Base-Base interactions energy: -112.639
where: short stacking energy: -38.470
Base-Backbone interact. energy: -0.221
local terms energy: -58.048386
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -9.248
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -14.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -81.025106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.025106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.025106 (E_RNA)
where:
Base-Base interactions energy: -40.425
where: short stacking energy: -18.778
Base-Backbone interact. energy: -0.004
local terms energy: -40.595389
where:
bonds (distance) C4'-P energy: -7.998
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -3.041
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: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -142.578582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.578582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.578582 (E_RNA)
where:
Base-Base interactions energy: -89.696
where: short stacking energy: -34.027
Base-Backbone interact. energy: -0.586
local terms energy: -52.296653
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -12.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -72.142339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.142339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.142339 (E_RNA)
where:
Base-Base interactions energy: -27.198
where: short stacking energy: -15.976
Base-Backbone interact. energy: -0.116
local terms energy: -44.828119
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -6.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -71.535100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.535100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.535100 (E_RNA)
where:
Base-Base interactions energy: -38.403
where: short stacking energy: -16.401
Base-Backbone interact. energy: -0.312
local terms energy: -32.820110
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -5.369
flat angles P-C4'-P energy: -9.311
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: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -71.959960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.959960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.959960 (E_RNA)
where:
Base-Base interactions energy: -26.489
where: short stacking energy: -16.076
Base-Backbone interact. energy: -0.647
local terms energy: -44.823767
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -10.034
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -2.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -58.333913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.333913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.333913 (E_RNA)
where:
Base-Base interactions energy: -17.162
where: short stacking energy: -15.892
Base-Backbone interact. energy: -0.100
local terms energy: -41.071860
where:
bonds (distance) C4'-P energy: -4.566
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -5.375
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: 299
Temperature: 0.900000
Total energy: -185.722489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.722489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.722489 (E_RNA)
where:
Base-Base interactions energy: -125.342
where: short stacking energy: -45.505
Base-Backbone interact. energy: 1.113
local terms energy: -61.493409
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -10.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -182.214717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.214717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.214717 (E_RNA)
where:
Base-Base interactions energy: -121.426
where: short stacking energy: -46.797
Base-Backbone interact. energy: 1.006
local terms energy: -61.795215
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -172.558769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.558769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.558769 (E_RNA)
where:
Base-Base interactions energy: -112.942
where: short stacking energy: -42.468
Base-Backbone interact. energy: -0.002
local terms energy: -59.615209
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -173.238638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.238638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.238638 (E_RNA)
where:
Base-Base interactions energy: -117.530
where: short stacking energy: -33.545
Base-Backbone interact. energy: -0.727
local terms energy: -54.981186
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -13.285
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: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -81.394685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.394685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.394685 (E_RNA)
where:
Base-Base interactions energy: -37.181
where: short stacking energy: -15.852
Base-Backbone interact. energy: -0.199
local terms energy: -44.015082
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -1.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -159.138113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.138113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.138113 (E_RNA)
where:
Base-Base interactions energy: -97.240
where: short stacking energy: -37.164
Base-Backbone interact. energy: -0.475
local terms energy: -61.423062
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -11.051
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: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -73.835255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.835255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.835255 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -17.856
Base-Backbone interact. energy: -0.190
local terms energy: -36.457917
where:
bonds (distance) C4'-P energy: -7.169
bonds (distance) P-C4' energy: -11.987
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -1.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -67.831930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.831930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.831930 (E_RNA)
where:
Base-Base interactions energy: -32.041
where: short stacking energy: -17.945
Base-Backbone interact. energy: -0.234
local terms energy: -35.557157
where:
bonds (distance) C4'-P energy: -7.033
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: 2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -63.298105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.298105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.298105 (E_RNA)
where:
Base-Base interactions energy: -29.923
where: short stacking energy: -18.384
Base-Backbone interact. energy: -0.260
local terms energy: -33.114832
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -4.819
tors. eta vs tors. theta energy: 2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -57.998471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.998471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.998471 (E_RNA)
where:
Base-Base interactions energy: -24.370
where: short stacking energy: -11.489
Base-Backbone interact. energy: -0.144
local terms energy: -33.484486
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: 5.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -182.572484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.572484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.572484 (E_RNA)
where:
Base-Base interactions energy: -117.260
where: short stacking energy: -45.692
Base-Backbone interact. energy: -0.553
local terms energy: -64.759679
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -16.607
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: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -184.045066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.045066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.045066 (E_RNA)
where:
Base-Base interactions energy: -123.820
where: short stacking energy: -41.908
Base-Backbone interact. energy: -0.833
local terms energy: -59.392803
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -184.887266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.887266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.887266 (E_RNA)
where:
Base-Base interactions energy: -116.202
where: short stacking energy: -45.457
Base-Backbone interact. energy: -0.060
local terms energy: -68.624772
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -172.247984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.247984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.247984 (E_RNA)
where:
Base-Base interactions energy: -114.907
where: short stacking energy: -39.160
Base-Backbone interact. energy: -0.194
local terms energy: -57.147200
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -13.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -160.768382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.768382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.768382 (E_RNA)
where:
Base-Base interactions energy: -102.940
where: short stacking energy: -42.455
Base-Backbone interact. energy: -0.097
local terms energy: -57.731804
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -13.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -107.124591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.124591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.124591 (E_RNA)
where:
Base-Base interactions energy: -61.460
where: short stacking energy: -26.439
Base-Backbone interact. energy: 0.355
local terms energy: -46.019772
where:
bonds (distance) C4'-P energy: -7.053
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -8.903
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -82.782487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.782487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.782487 (E_RNA)
where:
Base-Base interactions energy: -35.282
where: short stacking energy: -13.517
Base-Backbone interact. energy: -0.035
local terms energy: -47.465853
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -63.282982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.282982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.282982 (E_RNA)
where:
Base-Base interactions energy: -21.263
where: short stacking energy: -11.559
Base-Backbone interact. energy: -0.272
local terms energy: -41.748578
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -2.204
tors. eta vs tors. theta energy: -0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -61.583043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.583043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.583043 (E_RNA)
where:
Base-Base interactions energy: -21.972
where: short stacking energy: -14.538
Base-Backbone interact. energy: 0.704
local terms energy: -40.315654
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -9.635
flat angles P-C4'-P energy: -8.387
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: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -65.287641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.287641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.287641 (E_RNA)
where:
Base-Base interactions energy: -21.406
where: short stacking energy: -17.812
Base-Backbone interact. energy: -1.944
local terms energy: -41.937411
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -9.113
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: 1, replica: 8
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -183.419426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.419426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.419426 (E_RNA)
where:
Base-Base interactions energy: -120.691
where: short stacking energy: -48.489
Base-Backbone interact. energy: -0.007
local terms energy: -62.720958
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -176.017481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.017481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.017481 (E_RNA)
where:
Base-Base interactions energy: -113.277
where: short stacking energy: -45.812
Base-Backbone interact. energy: -0.006
local terms energy: -62.734605
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -177.618305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.618305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.618305 (E_RNA)
where:
Base-Base interactions energy: -111.308
where: short stacking energy: -44.495
Base-Backbone interact. energy: -0.002
local terms energy: -66.308298
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -17.008
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: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -169.370316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.370316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.370316 (E_RNA)
where:
Base-Base interactions energy: -109.083
where: short stacking energy: -40.684
Base-Backbone interact. energy: -0.043
local terms energy: -60.244512
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -8.845
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: 9
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -165.370487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.370487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.370487 (E_RNA)
where:
Base-Base interactions energy: -106.873
where: short stacking energy: -38.691
Base-Backbone interact. energy: -0.113
local terms energy: -58.383993
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -13.260
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: 301
Temperature: 1.150000
Total energy: -82.913084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.913084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.913084 (E_RNA)
where:
Base-Base interactions energy: -39.874
where: short stacking energy: -19.734
Base-Backbone interact. energy: 1.413
local terms energy: -44.452079
where:
bonds (distance) C4'-P energy: -8.002
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -8.189
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: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -75.038919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.038919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.038919 (E_RNA)
where:
Base-Base interactions energy: -36.097
where: short stacking energy: -15.034
Base-Backbone interact. energy: 1.212
local terms energy: -40.153895
where:
bonds (distance) C4'-P energy: -5.058
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -8.393
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: 301
Temperature: 1.250000
Total energy: -64.280984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.280984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.280984 (E_RNA)
where:
Base-Base interactions energy: -22.480
where: short stacking energy: -15.554
Base-Backbone interact. energy: -0.088
local terms energy: -41.712226
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -9.607
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: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -57.987402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.987402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.987402 (E_RNA)
where:
Base-Base interactions energy: -25.118
where: short stacking energy: -10.397
Base-Backbone interact. energy: -0.081
local terms energy: -32.788489
where:
bonds (distance) C4'-P energy: -5.808
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -7.974
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: 3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -71.721025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.721025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.721025 (E_RNA)
where:
Base-Base interactions energy: -31.892
where: short stacking energy: -17.738
Base-Backbone interact. energy: 2.295
local terms energy: -42.124230
where:
bonds (distance) C4'-P energy: -9.396
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -6.420
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: 1, replica: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -181.990090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.990090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.990090 (E_RNA)
where:
Base-Base interactions energy: -120.213
where: short stacking energy: -48.967
Base-Backbone interact. energy: -0.002
local terms energy: -61.774925
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -176.508228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.508228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.508228 (E_RNA)
where:
Base-Base interactions energy: -117.359
where: short stacking energy: -39.822
Base-Backbone interact. energy: -0.268
local terms energy: -58.881719
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -12.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -171.794026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.794026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.794026 (E_RNA)
where:
Base-Base interactions energy: -115.326
where: short stacking energy: -47.898
Base-Backbone interact. energy: -0.216
local terms energy: -56.252315
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -9.662
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -14.597
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: 7
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -175.437721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.437721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.437721 (E_RNA)
where:
Base-Base interactions energy: -112.153
where: short stacking energy: -42.294
Base-Backbone interact. energy: -0.150
local terms energy: -63.134672
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -14.737
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: 5, replica: 9
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -162.593703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.593703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.593703 (E_RNA)
where:
Base-Base interactions energy: -104.682
where: short stacking energy: -30.431
Base-Backbone interact. energy: -0.073
local terms energy: -57.839361
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -7.543
tors. eta vs tors. theta energy: -13.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -70.333728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.333728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.333728 (E_RNA)
where:
Base-Base interactions energy: -26.563
where: short stacking energy: -18.242
Base-Backbone interact. energy: 0.671
local terms energy: -44.441798
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -5.851
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -7.115
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: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -72.224859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.224859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.224859 (E_RNA)
where:
Base-Base interactions energy: -34.883
where: short stacking energy: -16.730
Base-Backbone interact. energy: -0.043
local terms energy: -37.298862
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -7.660
flat angles P-C4'-P energy: -2.875
tors. eta vs tors. theta energy: -1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -70.306449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.306449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.306449 (E_RNA)
where:
Base-Base interactions energy: -29.671
where: short stacking energy: -7.759
Base-Backbone interact. energy: -0.262
local terms energy: -40.372695
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -5.263
tors. eta vs tors. theta energy: -0.607
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: 302
Temperature: 1.300000
Total energy: -64.490698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.490698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.490698 (E_RNA)
where:
Base-Base interactions energy: -19.109
where: short stacking energy: -12.733
Base-Backbone interact. energy: -0.156
local terms energy: -45.226163
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -0.172
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -58.243359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.243359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.243359 (E_RNA)
where:
Base-Base interactions energy: -21.053
where: short stacking energy: -11.801
Base-Backbone interact. energy: -0.487
local terms energy: -36.703476
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -7.616
flat angles C4'-P-C4' energy: -6.057
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -6.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -181.642486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.642486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.642486 (E_RNA)
where:
Base-Base interactions energy: -117.088
where: short stacking energy: -47.581
Base-Backbone interact. energy: -0.915
local terms energy: -63.640343
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -14.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -179.839858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.839858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.839858 (E_RNA)
where:
Base-Base interactions energy: -112.746
where: short stacking energy: -44.390
Base-Backbone interact. energy: -0.842
local terms energy: -66.251630
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -11.007
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: 6
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -178.009287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.009287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.009287 (E_RNA)
where:
Base-Base interactions energy: -113.861
where: short stacking energy: -47.754
Base-Backbone interact. energy: -0.836
local terms energy: -63.312612
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -165.943382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.943382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.943382 (E_RNA)
where:
Base-Base interactions energy: -108.157
where: short stacking energy: -39.121
Base-Backbone interact. energy: -0.740
local terms energy: -57.046659
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -14.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -172.797115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.797115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.797115 (E_RNA)
where:
Base-Base interactions energy: -114.202
where: short stacking energy: -42.135
Base-Backbone interact. energy: -0.121
local terms energy: -58.474341
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -13.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -71.522170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.522170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.522170 (E_RNA)
where:
Base-Base interactions energy: -26.239
where: short stacking energy: -23.668
Base-Backbone interact. energy: -0.238
local terms energy: -45.045196
where:
bonds (distance) C4'-P energy: -8.659
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -9.435
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: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -68.675525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.675525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.675525 (E_RNA)
where:
Base-Base interactions energy: -30.910
where: short stacking energy: -21.403
Base-Backbone interact. energy: 0.470
local terms energy: -38.235576
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -8.232
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -4.307
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: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -70.331814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.331814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.331814 (E_RNA)
where:
Base-Base interactions energy: -26.907
where: short stacking energy: -10.575
Base-Backbone interact. energy: -0.039
local terms energy: -43.385564
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -8.458
flat angles P-C4'-P energy: -5.846
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: 9, replica: 3
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -58.696588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.696588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.696588 (E_RNA)
where:
Base-Base interactions energy: -18.036
where: short stacking energy: -9.915
Base-Backbone interact. energy: -0.155
local terms energy: -40.505588
where:
bonds (distance) C4'-P energy: -8.088
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -8.027
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -62.628180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.628180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.628180 (E_RNA)
where:
Base-Base interactions energy: -31.407
where: short stacking energy: -22.159
Base-Backbone interact. energy: 0.622
local terms energy: -31.843102
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -6.030
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: 2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -182.254767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.254767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.254767 (E_RNA)
where:
Base-Base interactions energy: -119.731
where: short stacking energy: -49.492
Base-Backbone interact. energy: 0.873
local terms energy: -63.397567
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -181.135151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.135151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.135151 (E_RNA)
where:
Base-Base interactions energy: -116.387
where: short stacking energy: -51.727
Base-Backbone interact. energy: -0.005
local terms energy: -64.743103
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -9.114
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: 3, replica: 6
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -175.620539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.620539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.620539 (E_RNA)
where:
Base-Base interactions energy: -118.986
where: short stacking energy: -50.036
Base-Backbone interact. energy: -0.099
local terms energy: -56.534966
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -5.812
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: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -170.403605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.403605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.403605 (E_RNA)
where:
Base-Base interactions energy: -105.687
where: short stacking energy: -43.448
Base-Backbone interact. energy: -0.004
local terms energy: -64.712501
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -171.932645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.932645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.932645 (E_RNA)
where:
Base-Base interactions energy: -107.647
where: short stacking energy: -40.008
Base-Backbone interact. energy: -0.097
local terms energy: -64.188693
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -13.468
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: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -81.995128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.995128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.995128 (E_RNA)
where:
Base-Base interactions energy: -39.037
where: short stacking energy: -24.999
Base-Backbone interact. energy: -0.216
local terms energy: -42.742643
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -4.454
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -7.765
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: 5
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -73.647452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.647452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.647452 (E_RNA)
where:
Base-Base interactions energy: -29.170
where: short stacking energy: -18.916
Base-Backbone interact. energy: -0.142
local terms energy: -44.335676
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -6.382
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: 8, replica: 4
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -71.454731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.454731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.454731 (E_RNA)
where:
Base-Base interactions energy: -24.231
where: short stacking energy: -16.728
Base-Backbone interact. energy: -0.040
local terms energy: -47.183242
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -7.290
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: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -59.768795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.768795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.768795 (E_RNA)
where:
Base-Base interactions energy: -24.674
where: short stacking energy: -8.020
Base-Backbone interact. energy: -1.549
local terms energy: -33.545459
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -10.319
flat angles C4'-P-C4' energy: -8.257
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: 4.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -59.809206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.809206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.809206 (E_RNA)
where:
Base-Base interactions energy: -21.037
where: short stacking energy: -21.037
Base-Backbone interact. energy: -0.145
local terms energy: -38.626678
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -8.474
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: 0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -184.509106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.509106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.509106 (E_RNA)
where:
Base-Base interactions energy: -123.606
where: short stacking energy: -53.265
Base-Backbone interact. energy: -0.008
local terms energy: -60.895641
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -10.331
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -9.451
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: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -180.415532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.415532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.415532 (E_RNA)
where:
Base-Base interactions energy: -119.654
where: short stacking energy: -51.494
Base-Backbone interact. energy: -0.059
local terms energy: -60.703139
where:
bonds (distance) C4'-P energy: -9.561
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -12.381
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: 3, replica: 6
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -169.167526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.167526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.167526 (E_RNA)
where:
Base-Base interactions energy: -107.887
where: short stacking energy: -37.390
Base-Backbone interact. energy: -0.132
local terms energy: -61.149023
where:
bonds (distance) C4'-P energy: -10.478
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -14.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -172.103243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.103243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.103243 (E_RNA)
where:
Base-Base interactions energy: -113.514
where: short stacking energy: -43.446
Base-Backbone interact. energy: -0.715
local terms energy: -57.874368
where:
bonds (distance) C4'-P energy: -9.050
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -14.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -167.864566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.864566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.864566 (E_RNA)
where:
Base-Base interactions energy: -106.977
where: short stacking energy: -41.370
Base-Backbone interact. energy: -0.005
local terms energy: -60.883269
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -14.741
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: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -78.302181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.302181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.302181 (E_RNA)
where:
Base-Base interactions energy: -36.138
where: short stacking energy: -20.804
Base-Backbone interact. energy: -0.083
local terms energy: -42.081005
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -2.770
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: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -82.734668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.734668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.734668 (E_RNA)
where:
Base-Base interactions energy: -35.775
where: short stacking energy: -18.566
Base-Backbone interact. energy: -0.111
local terms energy: -46.849035
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -2.512
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: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -74.231072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.231072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.231072 (E_RNA)
where:
Base-Base interactions energy: -32.682
where: short stacking energy: -14.440
Base-Backbone interact. energy: -0.056
local terms energy: -41.493113
where:
bonds (distance) C4'-P energy: -7.103
bonds (distance) P-C4' energy: -8.668
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -6.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -61.194579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.194579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.194579 (E_RNA)
where:
Base-Base interactions energy: -23.531
where: short stacking energy: -16.463
Base-Backbone interact. energy: -0.018
local terms energy: -37.645444
where:
bonds (distance) C4'-P energy: -9.417
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -7.367
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: 0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -53.819135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.819135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.819135 (E_RNA)
where:
Base-Base interactions energy: -11.560
where: short stacking energy: -11.560
Base-Backbone interact. energy: -0.184
local terms energy: -42.075407
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -7.530
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -3.262
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: 1, replica: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -178.416018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.416018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.416018 (E_RNA)
where:
Base-Base interactions energy: -119.706
where: short stacking energy: -52.810
Base-Backbone interact. energy: -0.006
local terms energy: -58.704412
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -183.340428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.340428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.340428 (E_RNA)
where:
Base-Base interactions energy: -115.182
where: short stacking energy: -46.249
Base-Backbone interact. energy: -0.506
local terms energy: -67.651770
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -13.674
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -170.602714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.602714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.602714 (E_RNA)
where:
Base-Base interactions energy: -117.256
where: short stacking energy: -47.564
Base-Backbone interact. energy: 0.958
local terms energy: -54.304055
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -8.223
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -10.163
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: 4, replica: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -172.437002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.437002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.437002 (E_RNA)
where:
Base-Base interactions energy: -109.764
where: short stacking energy: -47.084
Base-Backbone interact. energy: -0.587
local terms energy: -62.086083
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -8.603
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: 5, replica: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -165.360507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.360507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.360507 (E_RNA)
where:
Base-Base interactions energy: -114.660
where: short stacking energy: -42.017
Base-Backbone interact. energy: -1.233
local terms energy: -49.467513
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -6.824
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -12.819
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: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -79.705763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.705763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.705763 (E_RNA)
where:
Base-Base interactions energy: -28.579
where: short stacking energy: -18.993
Base-Backbone interact. energy: -0.052
local terms energy: -51.074512
where:
bonds (distance) C4'-P energy: -10.084
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -72.886575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.886575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.886575 (E_RNA)
where:
Base-Base interactions energy: -25.293
where: short stacking energy: -15.413
Base-Backbone interact. energy: -0.094
local terms energy: -47.499867
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -8.587
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: 8, replica: 2
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -79.605002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.605002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.605002 (E_RNA)
where:
Base-Base interactions energy: -39.177
where: short stacking energy: -16.487
Base-Backbone interact. energy: -1.043
local terms energy: -39.384881
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -4.965
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: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -100.199176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.199176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.199176 (E_RNA)
where:
Base-Base interactions energy: -56.371
where: short stacking energy: -19.138
Base-Backbone interact. energy: -0.079
local terms energy: -43.749046
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -9.330
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -5.952
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: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -61.194433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.194433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.194433 (E_RNA)
where:
Base-Base interactions energy: -18.439
where: short stacking energy: -18.415
Base-Backbone interact. energy: -0.587
local terms energy: -42.167741
where:
bonds (distance) C4'-P energy: -8.403
bonds (distance) P-C4' energy: -8.488
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -9.837
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: 1, replica: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -179.180584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.180584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.180584 (E_RNA)
where:
Base-Base interactions energy: -122.620
where: short stacking energy: -49.075
Base-Backbone interact. energy: -0.002
local terms energy: -56.558843
where:
bonds (distance) C4'-P energy: -7.434
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -8.221
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: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -177.531635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.531635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.531635 (E_RNA)
where:
Base-Base interactions energy: -115.021
where: short stacking energy: -50.926
Base-Backbone interact. energy: -0.024
local terms energy: -62.486152
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -10.518
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -182.594044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.594044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.594044 (E_RNA)
where:
Base-Base interactions energy: -120.208
where: short stacking energy: -49.774
Base-Backbone interact. energy: -0.111
local terms energy: -62.274644
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -10.093
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: 6
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -174.713564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.713564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.713564 (E_RNA)
where:
Base-Base interactions energy: -115.611
where: short stacking energy: -40.523
Base-Backbone interact. energy: -0.936
local terms energy: -58.166720
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -8.644
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -149.186841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.186841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.186841 (E_RNA)
where:
Base-Base interactions energy: -90.926
where: short stacking energy: -36.763
Base-Backbone interact. energy: -0.897
local terms energy: -57.363569
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -85.483042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.483042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.483042 (E_RNA)
where:
Base-Base interactions energy: -40.090
where: short stacking energy: -31.273
Base-Backbone interact. energy: -0.049
local terms energy: -45.343532
where:
bonds (distance) C4'-P energy: -8.118
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -76.276011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.276011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.276011 (E_RNA)
where:
Base-Base interactions energy: -35.458
where: short stacking energy: -20.713
Base-Backbone interact. energy: -0.132
local terms energy: -40.686352
where:
bonds (distance) C4'-P energy: -7.803
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -8.769
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: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -64.954102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.954102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.954102 (E_RNA)
where:
Base-Base interactions energy: -31.694
where: short stacking energy: -14.083
Base-Backbone interact. energy: 0.263
local terms energy: -33.523772
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -9.039
flat angles C4'-P-C4' energy: -8.152
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: 5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -68.611124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.611124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.611124 (E_RNA)
where:
Base-Base interactions energy: -27.367
where: short stacking energy: -17.783
Base-Backbone interact. energy: -0.064
local terms energy: -41.180569
where:
bonds (distance) C4'-P energy: -5.433
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -59.085495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.085495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.085495 (E_RNA)
where:
Base-Base interactions energy: -19.929
where: short stacking energy: -15.601
Base-Backbone interact. energy: -0.165
local terms energy: -38.991226
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -4.500
tors. eta vs tors. theta energy: -0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -185.874216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.874216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.874216 (E_RNA)
where:
Base-Base interactions energy: -118.509
where: short stacking energy: -49.511
Base-Backbone interact. energy: -0.095
local terms energy: -67.270371
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -8.060
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: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -171.027499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.027499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.027499 (E_RNA)
where:
Base-Base interactions energy: -114.553
where: short stacking energy: -38.055
Base-Backbone interact. energy: -0.186
local terms energy: -56.288100
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -178.336688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.336688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.336688 (E_RNA)
where:
Base-Base interactions energy: -115.818
where: short stacking energy: -44.920
Base-Backbone interact. energy: -0.010
local terms energy: -62.508501
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -9.115
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: 4, replica: 1
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -171.102116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.102116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.102116 (E_RNA)
where:
Base-Base interactions energy: -110.201
where: short stacking energy: -46.245
Base-Backbone interact. energy: -0.060
local terms energy: -60.841066
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -75.304303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.304303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.304303 (E_RNA)
where:
Base-Base interactions energy: -30.583
where: short stacking energy: -19.654
Base-Backbone interact. energy: -0.018
local terms energy: -44.702700
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -143.706693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.706693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.706693 (E_RNA)
where:
Base-Base interactions energy: -96.561
where: short stacking energy: -36.674
Base-Backbone interact. energy: -0.008
local terms energy: -47.137210
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -5.287
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -10.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -75.380123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.380123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.380123 (E_RNA)
where:
Base-Base interactions energy: -24.257
where: short stacking energy: -18.952
Base-Backbone interact. energy: -0.096
local terms energy: -51.026842
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -4.134
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: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -73.368804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.368804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.368804 (E_RNA)
where:
Base-Base interactions energy: -35.172
where: short stacking energy: -21.348
Base-Backbone interact. energy: -0.106
local terms energy: -38.090148
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -7.718
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -3.530
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: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -71.915155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.915155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.915155 (E_RNA)
where:
Base-Base interactions energy: -32.901
where: short stacking energy: -17.480
Base-Backbone interact. energy: -0.746
local terms energy: -38.267692
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -8.119
flat angles P-C4'-P energy: -0.288
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -68.370220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.370220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.370220 (E_RNA)
where:
Base-Base interactions energy: -28.224
where: short stacking energy: -13.007
Base-Backbone interact. energy: 0.550
local terms energy: -40.696868
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -1.670
tors. eta vs tors. theta energy: -0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -184.657469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.657469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.657469 (E_RNA)
where:
Base-Base interactions energy: -118.568
where: short stacking energy: -47.202
Base-Backbone interact. energy: -0.002
local terms energy: -66.087379
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -173.678017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.678017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.678017 (E_RNA)
where:
Base-Base interactions energy: -116.503
where: short stacking energy: -37.276
Base-Backbone interact. energy: -0.004
local terms energy: -57.170779
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -9.110
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -14.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -172.877205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.877205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.877205 (E_RNA)
where:
Base-Base interactions energy: -117.742
where: short stacking energy: -41.212
Base-Backbone interact. energy: -0.045
local terms energy: -55.090479
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -171.123958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.123958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.123958 (E_RNA)
where:
Base-Base interactions energy: -110.568
where: short stacking energy: -46.859
Base-Backbone interact. energy: -0.000
local terms energy: -60.554997
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -80.818442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.818442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.818442 (E_RNA)
where:
Base-Base interactions energy: -32.266
where: short stacking energy: -25.434
Base-Backbone interact. energy: -0.270
local terms energy: -48.282580
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -9.768
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -8.156
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: 6, replica: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -160.928633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.928633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.928633 (E_RNA)
where:
Base-Base interactions energy: -106.742
where: short stacking energy: -40.611
Base-Backbone interact. energy: -0.116
local terms energy: -54.071159
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -9.368
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -5.312
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: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -59.430882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.430882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.430882 (E_RNA)
where:
Base-Base interactions energy: -17.854
where: short stacking energy: -14.676
Base-Backbone interact. energy: -0.266
local terms energy: -41.310743
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -8.267
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: 1.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -58.412747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.412747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.412747 (E_RNA)
where:
Base-Base interactions energy: -18.817
where: short stacking energy: -13.778
Base-Backbone interact. energy: -1.415
local terms energy: -38.180868
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -9.165
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: 2.898
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: 9, replica: 3
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -87.148160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.148160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.148160 (E_RNA)
where:
Base-Base interactions energy: -54.618
where: short stacking energy: -17.231
Base-Backbone interact. energy: -0.193
local terms energy: -32.337216
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -5.117
flat angles P-C4'-P energy: -8.759
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: 10, replica: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -75.528239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.528239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.528239 (E_RNA)
where:
Base-Base interactions energy: -38.849
where: short stacking energy: -16.180
Base-Backbone interact. energy: 0.407
local terms energy: -37.086372
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -1.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -179.878637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.878637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.878637 (E_RNA)
where:
Base-Base interactions energy: -115.401
where: short stacking energy: -51.479
Base-Backbone interact. energy: -0.002
local terms energy: -64.475759
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -16.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -177.832131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.832131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.832131 (E_RNA)
where:
Base-Base interactions energy: -118.729
where: short stacking energy: -44.277
Base-Backbone interact. energy: -0.031
local terms energy: -59.071782
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -9.069
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -172.770517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.770517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.770517 (E_RNA)
where:
Base-Base interactions energy: -109.647
where: short stacking energy: -41.889
Base-Backbone interact. energy: 0.348
local terms energy: -63.471482
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -174.850419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.850419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.850419 (E_RNA)
where:
Base-Base interactions energy: -120.615
where: short stacking energy: -49.144
Base-Backbone interact. energy: -0.015
local terms energy: -54.219624
where:
bonds (distance) C4'-P energy: -8.651
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -160.931564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.931564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.931564 (E_RNA)
where:
Base-Base interactions energy: -106.099
where: short stacking energy: -43.399
Base-Backbone interact. energy: -0.101
local terms energy: -54.731918
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -16.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -75.330961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.330961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.330961 (E_RNA)
where:
Base-Base interactions energy: -25.630
where: short stacking energy: -18.839
Base-Backbone interact. energy: -0.073
local terms energy: -49.627360
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -5.327
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: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -76.972811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.972811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.972811 (E_RNA)
where:
Base-Base interactions energy: -37.781
where: short stacking energy: -18.020
Base-Backbone interact. energy: -0.176
local terms energy: -39.015778
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -15.312
flat angles C4'-P-C4' energy: -7.872
flat angles P-C4'-P energy: -5.813
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: 10
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -71.606155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.606155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.606155 (E_RNA)
where:
Base-Base interactions energy: -32.629
where: short stacking energy: -15.597
Base-Backbone interact. energy: 1.645
local terms energy: -40.622892
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -65.439970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.439970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.439970 (E_RNA)
where:
Base-Base interactions energy: -27.952
where: short stacking energy: -14.079
Base-Backbone interact. energy: -0.168
local terms energy: -37.320166
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -5.221
tors. eta vs tors. theta energy: 0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -61.961452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.961452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.961452 (E_RNA)
where:
Base-Base interactions energy: -21.078
where: short stacking energy: -15.743
Base-Backbone interact. energy: -0.903
local terms energy: -39.980870
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -6.223
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: 6
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -181.880589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.880589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.880589 (E_RNA)
where:
Base-Base interactions energy: -119.678
where: short stacking energy: -43.909
Base-Backbone interact. energy: -0.001
local terms energy: -62.202169
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -15.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -182.749262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.749262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.749262 (E_RNA)
where:
Base-Base interactions energy: -121.917
where: short stacking energy: -45.758
Base-Backbone interact. energy: -0.031
local terms energy: -60.800842
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -179.960115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.960115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.960115 (E_RNA)
where:
Base-Base interactions energy: -117.072
where: short stacking energy: -48.324
Base-Backbone interact. energy: -0.014
local terms energy: -62.874894
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -17.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -167.701231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.701231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.701231 (E_RNA)
where:
Base-Base interactions energy: -106.994
where: short stacking energy: -40.969
Base-Backbone interact. energy: -0.005
local terms energy: -60.702480
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -16.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -163.905921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.905921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.905921 (E_RNA)
where:
Base-Base interactions energy: -108.435
where: short stacking energy: -42.919
Base-Backbone interact. energy: -0.060
local terms energy: -55.410372
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -7.289
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -16.786
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: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -107.931942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.931942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.931942 (E_RNA)
where:
Base-Base interactions energy: -60.399
where: short stacking energy: -24.257
Base-Backbone interact. energy: 0.411
local terms energy: -47.943649
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -9.783
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: -7.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -65.210343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.210343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.210343 (E_RNA)
where:
Base-Base interactions energy: -27.639
where: short stacking energy: -9.969
Base-Backbone interact. energy: -0.607
local terms energy: -36.964742
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -2.164
tors. eta vs tors. theta energy: -0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -61.536659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.536659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.536659 (E_RNA)
where:
Base-Base interactions energy: -19.275
where: short stacking energy: -18.515
Base-Backbone interact. energy: -0.086
local terms energy: -42.175598
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -3.256
tors. eta vs tors. theta energy: 0.351
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: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -69.083944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.083944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.083944 (E_RNA)
where:
Base-Base interactions energy: -38.059
where: short stacking energy: -9.204
Base-Backbone interact. energy: -0.160
local terms energy: -30.864416
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -8.441
flat angles P-C4'-P energy: -1.696
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: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -57.716669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.716669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.716669 (E_RNA)
where:
Base-Base interactions energy: -17.208
where: short stacking energy: -15.421
Base-Backbone interact. energy: -0.123
local terms energy: -40.385449
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -8.126
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -5.787
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: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -179.470125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.470125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.470125 (E_RNA)
where:
Base-Base interactions energy: -117.952
where: short stacking energy: -50.646
Base-Backbone interact. energy: -0.003
local terms energy: -61.515073
where:
bonds (distance) C4'-P energy: -7.524
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -16.599
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: 6
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -180.695244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.695244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.695244 (E_RNA)
where:
Base-Base interactions energy: -117.253
where: short stacking energy: -47.925
Base-Backbone interact. energy: -0.083
local terms energy: -63.359679
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -9.169
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -178.719736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.719736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.719736 (E_RNA)
where:
Base-Base interactions energy: -113.360
where: short stacking energy: -45.317
Base-Backbone interact. energy: -0.001
local terms energy: -65.358882
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -170.234190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.234190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.234190 (E_RNA)
where:
Base-Base interactions energy: -112.798
where: short stacking energy: -47.172
Base-Backbone interact. energy: 0.369
local terms energy: -57.805428
where:
bonds (distance) C4'-P energy: -8.080
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -11.326
flat angles P-C4'-P energy: -10.069
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: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -171.675831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.675831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.675831 (E_RNA)
where:
Base-Base interactions energy: -116.902
where: short stacking energy: -45.250
Base-Backbone interact. energy: -0.014
local terms energy: -54.759504
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -16.318
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: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -89.798435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.798435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.798435 (E_RNA)
where:
Base-Base interactions energy: -46.311
where: short stacking energy: -16.861
Base-Backbone interact. energy: 0.535
local terms energy: -44.022755
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -8.327
flat angles P-C4'-P energy: -7.058
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: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -89.711266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.711266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.711266 (E_RNA)
where:
Base-Base interactions energy: -42.548
where: short stacking energy: -14.509
Base-Backbone interact. energy: -0.650
local terms energy: -46.513202
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -10.247
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: -5.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -60.509657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.509657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.509657 (E_RNA)
where:
Base-Base interactions energy: -20.357
where: short stacking energy: -20.357
Base-Backbone interact. energy: -0.079
local terms energy: -40.073568
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -6.869
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: 9, replica: 3
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -59.658460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.658460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.658460 (E_RNA)
where:
Base-Base interactions energy: -21.275
where: short stacking energy: -10.389
Base-Backbone interact. energy: -0.321
local terms energy: -38.062459
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -8.023
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: 1.897
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: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -62.083676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.083676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.083676 (E_RNA)
where:
Base-Base interactions energy: -28.914
where: short stacking energy: -10.339
Base-Backbone interact. energy: -0.260
local terms energy: -32.910162
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -8.491
flat angles C4'-P-C4' energy: -8.337
flat angles P-C4'-P energy: -5.751
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: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -176.232522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.232522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.232522 (E_RNA)
where:
Base-Base interactions energy: -116.443
where: short stacking energy: -45.185
Base-Backbone interact. energy: 0.485
local terms energy: -60.274163
where:
bonds (distance) C4'-P energy: -8.213
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -172.348961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.348961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.348961 (E_RNA)
where:
Base-Base interactions energy: -111.083
where: short stacking energy: -44.797
Base-Backbone interact. energy: -0.069
local terms energy: -61.196379
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -11.339
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: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -182.632911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.632911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.632911 (E_RNA)
where:
Base-Base interactions energy: -116.953
where: short stacking energy: -50.331
Base-Backbone interact. energy: -0.010
local terms energy: -65.669987
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -10.747
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: 4, replica: 1
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -171.035880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.035880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.035880 (E_RNA)
where:
Base-Base interactions energy: -115.534
where: short stacking energy: -45.521
Base-Backbone interact. energy: -0.002
local terms energy: -55.499704
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -8.573
flat angles P-C4'-P energy: -6.376
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: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -162.955136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.955136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.955136 (E_RNA)
where:
Base-Base interactions energy: -105.163
where: short stacking energy: -40.295
Base-Backbone interact. energy: -0.629
local terms energy: -57.162761
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -14.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -75.833483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.833483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.833483 (E_RNA)
where:
Base-Base interactions energy: -39.776
where: short stacking energy: -20.093
Base-Backbone interact. energy: -1.332
local terms energy: -34.725163
where:
bonds (distance) C4'-P energy: -9.873
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -8.685
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: 2.199
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: 5
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -68.624573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.624573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.624573 (E_RNA)
where:
Base-Base interactions energy: -27.612
where: short stacking energy: -11.824
Base-Backbone interact. energy: -0.718
local terms energy: -40.294248
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -8.314
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: 8, replica: 3
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -68.306218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.306218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.306218 (E_RNA)
where:
Base-Base interactions energy: -32.403
where: short stacking energy: -17.275
Base-Backbone interact. energy: -0.139
local terms energy: -35.763905
where:
bonds (distance) C4'-P energy: -7.215
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: 0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -63.401450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.401450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.401450 (E_RNA)
where:
Base-Base interactions energy: -12.419
where: short stacking energy: -12.419
Base-Backbone interact. energy: -0.048
local terms energy: -50.934969
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -59.864983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.864983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.864983 (E_RNA)
where:
Base-Base interactions energy: -20.632
where: short stacking energy: -14.246
Base-Backbone interact. energy: -0.445
local terms energy: -38.787700
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -179.219886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.219886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.219886 (E_RNA)
where:
Base-Base interactions energy: -117.400
where: short stacking energy: -45.717
Base-Backbone interact. energy: -0.844
local terms energy: -60.976002
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -176.769239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.769239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.769239 (E_RNA)
where:
Base-Base interactions energy: -118.007
where: short stacking energy: -45.851
Base-Backbone interact. energy: -1.182
local terms energy: -57.580411
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -15.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -174.071662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.071662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.071662 (E_RNA)
where:
Base-Base interactions energy: -116.943
where: short stacking energy: -40.921
Base-Backbone interact. energy: -0.108
local terms energy: -57.020678
where:
bonds (distance) C4'-P energy: -9.131
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -11.025
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: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -168.622128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.622128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.622128 (E_RNA)
where:
Base-Base interactions energy: -112.989
where: short stacking energy: -38.532
Base-Backbone interact. energy: 0.069
local terms energy: -55.702845
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -14.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -73.521115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.521115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.521115 (E_RNA)
where:
Base-Base interactions energy: -28.002
where: short stacking energy: -16.445
Base-Backbone interact. energy: -0.271
local terms energy: -45.248253
where:
bonds (distance) C4'-P energy: -6.213
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -136.086975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.086975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.086975 (E_RNA)
where:
Base-Base interactions energy: -91.780
where: short stacking energy: -30.699
Base-Backbone interact. energy: -0.257
local terms energy: -44.050701
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -7.961
flat angles C4'-P-C4' energy: -8.676
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -10.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -83.714356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.714356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.714356 (E_RNA)
where:
Base-Base interactions energy: -35.668
where: short stacking energy: -22.875
Base-Backbone interact. energy: -0.094
local terms energy: -47.952505
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -64.138034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.138034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.138034 (E_RNA)
where:
Base-Base interactions energy: -26.150
where: short stacking energy: -9.248
Base-Backbone interact. energy: -0.681
local terms energy: -37.306924
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -7.601
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: 2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -66.509966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.509966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.509966 (E_RNA)
where:
Base-Base interactions energy: -29.898
where: short stacking energy: -9.967
Base-Backbone interact. energy: 0.476
local terms energy: -37.087680
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -8.244
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: 4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -63.347851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.347851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.347851 (E_RNA)
where:
Base-Base interactions energy: -20.450
where: short stacking energy: -13.366
Base-Backbone interact. energy: -0.130
local terms energy: -42.767555
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -5.744
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -186.395320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.395320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.395320 (E_RNA)
where:
Base-Base interactions energy: -122.392
where: short stacking energy: -46.220
Base-Backbone interact. energy: -0.285
local terms energy: -63.718973
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -19.013
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: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -175.525658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.525658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.525658 (E_RNA)
where:
Base-Base interactions energy: -113.754
where: short stacking energy: -43.751
Base-Backbone interact. energy: -0.001
local terms energy: -61.770327
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -8.290
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: 3, replica: 6
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -172.829146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.829146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.829146 (E_RNA)
where:
Base-Base interactions energy: -111.271
where: short stacking energy: -39.795
Base-Backbone interact. energy: -0.110
local terms energy: -61.447902
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -10.604
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -10.394
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: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -175.268575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.268575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.268575 (E_RNA)
where:
Base-Base interactions energy: -110.974
where: short stacking energy: -42.085
Base-Backbone interact. energy: -0.313
local terms energy: -63.982013
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -75.903349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.903349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.903349 (E_RNA)
where:
Base-Base interactions energy: -31.310
where: short stacking energy: -17.671
Base-Backbone interact. energy: -0.213
local terms energy: -44.380205
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -5.563
flat angles P-C4'-P energy: -7.122
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: 6, replica: 3
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -88.457537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.457537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.457537 (E_RNA)
where:
Base-Base interactions energy: -46.185
where: short stacking energy: -13.279
Base-Backbone interact. energy: -0.040
local terms energy: -42.232569
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: 3.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -111.755642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.755642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.755642 (E_RNA)
where:
Base-Base interactions energy: -70.604
where: short stacking energy: -27.689
Base-Backbone interact. energy: -0.018
local terms energy: -41.133252
where:
bonds (distance) C4'-P energy: -8.543
bonds (distance) P-C4' energy: -9.962
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -6.439
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: 8, replica: 2
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -69.907359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.907359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.907359 (E_RNA)
where:
Base-Base interactions energy: -23.890
where: short stacking energy: -10.116
Base-Backbone interact. energy: -0.153
local terms energy: -45.864598
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -10.058
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: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -65.611557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.611557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.611557 (E_RNA)
where:
Base-Base interactions energy: -24.658
where: short stacking energy: -18.538
Base-Backbone interact. energy: -0.450
local terms energy: -40.504278
where:
bonds (distance) C4'-P energy: -9.451
bonds (distance) P-C4' energy: -10.717
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -51.365974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.365974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.365974 (E_RNA)
where:
Base-Base interactions energy: -10.643
where: short stacking energy: -8.091
Base-Backbone interact. energy: -0.159
local terms energy: -40.564447
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: 0.690
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: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -181.369229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.369229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.369229 (E_RNA)
where:
Base-Base interactions energy: -115.592
where: short stacking energy: -44.187
Base-Backbone interact. energy: -0.003
local terms energy: -65.774276
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -177.244722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.244722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.244722 (E_RNA)
where:
Base-Base interactions energy: -114.544
where: short stacking energy: -51.296
Base-Backbone interact. energy: -0.001
local terms energy: -62.699885
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -10.849
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: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -174.049809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.049809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.049809 (E_RNA)
where:
Base-Base interactions energy: -113.839
where: short stacking energy: -43.793
Base-Backbone interact. energy: -0.163
local terms energy: -60.047857
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -169.042654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.042654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.042654 (E_RNA)
where:
Base-Base interactions energy: -110.410
where: short stacking energy: -46.728
Base-Backbone interact. energy: -0.319
local terms energy: -58.313367
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -8.424
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -8.973
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: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -89.574785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.574785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.574785 (E_RNA)
where:
Base-Base interactions energy: -48.875
where: short stacking energy: -33.256
Base-Backbone interact. energy: -0.082
local terms energy: -40.617594
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -1.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -76.389795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.389795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.389795 (E_RNA)
where:
Base-Base interactions energy: -26.197
where: short stacking energy: -26.197
Base-Backbone interact. energy: -0.002
local terms energy: -50.190360
where:
bonds (distance) C4'-P energy: -6.884
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -62.710345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.710345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.710345 (E_RNA)
where:
Base-Base interactions energy: -21.786
where: short stacking energy: -14.473
Base-Backbone interact. energy: -0.744
local terms energy: -40.179969
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -8.588
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -9.001
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: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -76.585970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.585970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.585970 (E_RNA)
where:
Base-Base interactions energy: -42.240
where: short stacking energy: -17.545
Base-Backbone interact. energy: -0.282
local terms energy: -34.064532
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: 2.316
tors. eta vs tors. theta energy: -1.269
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: 9, replica: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -57.359565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.359565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.359565 (E_RNA)
where:
Base-Base interactions energy: -10.317
where: short stacking energy: -8.652
Base-Backbone interact. energy: -0.080
local terms energy: -46.962551
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -10.619
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: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -55.241445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.241445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.241445 (E_RNA)
where:
Base-Base interactions energy: -17.843
where: short stacking energy: -11.866
Base-Backbone interact. energy: -0.206
local terms energy: -37.192511
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -7.937
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: 2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -177.259285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.259285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.259285 (E_RNA)
where:
Base-Base interactions energy: -119.988
where: short stacking energy: -50.866
Base-Backbone interact. energy: -0.002
local terms energy: -57.269796
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -9.460
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -176.596290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.596290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.596290 (E_RNA)
where:
Base-Base interactions energy: -114.675
where: short stacking energy: -40.477
Base-Backbone interact. energy: -0.094
local terms energy: -61.826772
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -13.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -170.420448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.420448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.420448 (E_RNA)
where:
Base-Base interactions energy: -107.937
where: short stacking energy: -42.317
Base-Backbone interact. energy: -0.199
local terms energy: -62.284534
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -12.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -173.538204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.538204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.538204 (E_RNA)
where:
Base-Base interactions energy: -110.249
where: short stacking energy: -45.560
Base-Backbone interact. energy: -0.057
local terms energy: -63.232964
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -15.738
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: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -80.283171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.283171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.283171 (E_RNA)
where:
Base-Base interactions energy: -31.915
where: short stacking energy: -11.728
Base-Backbone interact. energy: -0.377
local terms energy: -47.990480
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -2.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -68.364460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.364460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.364460 (E_RNA)
where:
Base-Base interactions energy: -16.505
where: short stacking energy: -13.740
Base-Backbone interact. energy: -0.075
local terms energy: -51.784230
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -56.582620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.582620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.582620 (E_RNA)
where:
Base-Base interactions energy: -22.033
where: short stacking energy: -9.934
Base-Backbone interact. energy: -0.025
local terms energy: -34.525485
where:
bonds (distance) C4'-P energy: -8.487
bonds (distance) P-C4' energy: -7.807
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -9.581
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: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -67.616469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.616469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.616469 (E_RNA)
where:
Base-Base interactions energy: -29.133
where: short stacking energy: -13.573
Base-Backbone interact. energy: -0.229
local terms energy: -38.254220
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -2.025
tors. eta vs tors. theta energy: -0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -70.039350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.039350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.039350 (E_RNA)
where:
Base-Base interactions energy: -29.769
where: short stacking energy: -12.768
Base-Backbone interact. energy: -0.302
local terms energy: -39.968494
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -8.579
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -63.111037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.111037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.111037 (E_RNA)
where:
Base-Base interactions energy: -24.893
where: short stacking energy: -21.894
Base-Backbone interact. energy: 0.614
local terms energy: -38.832947
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -10.733
flat angles C4'-P-C4' energy: -9.823
flat angles P-C4'-P energy: -5.889
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: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -178.606226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.606226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.606226 (E_RNA)
where:
Base-Base interactions energy: -118.923
where: short stacking energy: -40.451
Base-Backbone interact. energy: -0.221
local terms energy: -59.461854
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -12.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -173.775187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.775187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.775187 (E_RNA)
where:
Base-Base interactions energy: -114.098
where: short stacking energy: -46.074
Base-Backbone interact. energy: 0.245
local terms energy: -59.922085
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -9.811
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: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -178.128281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.128281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.128281 (E_RNA)
where:
Base-Base interactions energy: -113.468
where: short stacking energy: -46.314
Base-Backbone interact. energy: -0.413
local terms energy: -64.247833
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -9.190
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: 4, replica: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -166.005081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.005081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.005081 (E_RNA)
where:
Base-Base interactions energy: -105.904
where: short stacking energy: -41.249
Base-Backbone interact. energy: -0.121
local terms energy: -59.980019
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -13.093
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: 318
Temperature: 1.100000
Total energy: -94.297898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.297898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.297898 (E_RNA)
where:
Base-Base interactions energy: -45.855
where: short stacking energy: -10.303
Base-Backbone interact. energy: -0.430
local terms energy: -48.013798
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -9.375
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: 6, replica: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -84.845400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.845400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.845400 (E_RNA)
where:
Base-Base interactions energy: -40.798
where: short stacking energy: -20.934
Base-Backbone interact. energy: -0.026
local terms energy: -44.021114
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -0.388
tors. eta vs tors. theta energy: -7.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -65.055389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.055389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.055389 (E_RNA)
where:
Base-Base interactions energy: -16.339
where: short stacking energy: -16.339
Base-Backbone interact. energy: -0.001
local terms energy: -48.715951
where:
bonds (distance) C4'-P energy: -9.004
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -10.321
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -62.793621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.793621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.793621 (E_RNA)
where:
Base-Base interactions energy: -26.754
where: short stacking energy: -18.568
Base-Backbone interact. energy: -0.119
local terms energy: -35.920618
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -8.623
flat angles C4'-P-C4' energy: -10.365
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: 1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -57.693123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.693123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.693123 (E_RNA)
where:
Base-Base interactions energy: -17.608
where: short stacking energy: -16.361
Base-Backbone interact. energy: -0.171
local terms energy: -39.913780
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -6.886
flat angles P-C4'-P energy: -8.905
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: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -55.929690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.929690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.929690 (E_RNA)
where:
Base-Base interactions energy: -19.278
where: short stacking energy: -12.408
Base-Backbone interact. energy: 0.472
local terms energy: -37.124087
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -8.356
flat angles C4'-P-C4' energy: -6.878
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: -6.846
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: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -183.302458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.302458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.302458 (E_RNA)
where:
Base-Base interactions energy: -118.549
where: short stacking energy: -44.059
Base-Backbone interact. energy: -0.214
local terms energy: -64.540126
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -182.855165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.855165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.855165 (E_RNA)
where:
Base-Base interactions energy: -118.690
where: short stacking energy: -50.112
Base-Backbone interact. energy: -0.907
local terms energy: -63.258217
where:
bonds (distance) C4'-P energy: -10.461
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -11.352
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: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -172.677238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.677238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.677238 (E_RNA)
where:
Base-Base interactions energy: -110.116
where: short stacking energy: -35.559
Base-Backbone interact. energy: -0.180
local terms energy: -62.381395
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -8.752
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: 4, replica: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -177.893662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.893662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.893662 (E_RNA)
where:
Base-Base interactions energy: -116.359
where: short stacking energy: -45.883
Base-Backbone interact. energy: -0.008
local terms energy: -61.526882
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -8.446
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: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -77.807876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.807876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.807876 (E_RNA)
where:
Base-Base interactions energy: -29.977
where: short stacking energy: -17.865
Base-Backbone interact. energy: -0.000
local terms energy: -47.830213
where:
bonds (distance) C4'-P energy: -7.886
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -77.715483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.715483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.715483 (E_RNA)
where:
Base-Base interactions energy: -30.966
where: short stacking energy: -14.932
Base-Backbone interact. energy: -0.241
local terms energy: -46.508286
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -7.725
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: 7, replica: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -64.829489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.829489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.829489 (E_RNA)
where:
Base-Base interactions energy: -20.474
where: short stacking energy: -18.573
Base-Backbone interact. energy: -0.381
local terms energy: -43.974424
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -8.934
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -62.395632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.395632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.395632 (E_RNA)
where:
Base-Base interactions energy: -27.719
where: short stacking energy: -11.411
Base-Backbone interact. energy: -0.099
local terms energy: -34.577894
where:
bonds (distance) C4'-P energy: -9.277
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -5.639
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -55.404709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.404709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.404709 (E_RNA)
where:
Base-Base interactions energy: -21.300
where: short stacking energy: -17.030
Base-Backbone interact. energy: 0.973
local terms energy: -35.077676
where:
bonds (distance) C4'-P energy: -7.079
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -3.110
tors. eta vs tors. theta energy: -1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -77.796514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.796514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.796514 (E_RNA)
where:
Base-Base interactions energy: -32.883
where: short stacking energy: -12.087
Base-Backbone interact. energy: -0.242
local terms energy: -44.671294
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -11.175
flat angles P-C4'-P energy: -0.907
tors. eta vs tors. theta energy: -7.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -180.526026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.526026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.526026 (E_RNA)
where:
Base-Base interactions energy: -119.393
where: short stacking energy: -50.430
Base-Backbone interact. energy: -0.004
local terms energy: -61.128838
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -9.892
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -182.854408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.854408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.854408 (E_RNA)
where:
Base-Base interactions energy: -117.609
where: short stacking energy: -48.561
Base-Backbone interact. energy: -0.008
local terms energy: -65.237149
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -175.184399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.184399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.184399 (E_RNA)
where:
Base-Base interactions energy: -115.132
where: short stacking energy: -52.590
Base-Backbone interact. energy: -0.001
local terms energy: -60.051169
where:
bonds (distance) C4'-P energy: -7.883
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -16.915
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: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -152.568485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.568485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.568485 (E_RNA)
where:
Base-Base interactions energy: -102.384
where: short stacking energy: -31.255
Base-Backbone interact. energy: 0.264
local terms energy: -50.449077
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -9.833
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -86.915547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.915547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.915547 (E_RNA)
where:
Base-Base interactions energy: -44.584
where: short stacking energy: -21.660
Base-Backbone interact. energy: 0.232
local terms energy: -42.563303
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -10.250
flat angles P-C4'-P energy: -5.991
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: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -107.321373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.321373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.321373 (E_RNA)
where:
Base-Base interactions energy: -65.226
where: short stacking energy: -18.377
Base-Backbone interact. energy: -0.055
local terms energy: -42.039821
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -9.798
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -74.416148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.416148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.416148 (E_RNA)
where:
Base-Base interactions energy: -25.523
where: short stacking energy: -25.523
Base-Backbone interact. energy: -0.141
local terms energy: -48.752500
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -57.494340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.494340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.494340 (E_RNA)
where:
Base-Base interactions energy: -18.418
where: short stacking energy: -2.272
Base-Backbone interact. energy: -0.135
local terms energy: -38.941496
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -9.385
flat angles C4'-P-C4' energy: -9.848
flat angles P-C4'-P energy: -9.695
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: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -58.388391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.388391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.388391 (E_RNA)
where:
Base-Base interactions energy: -20.628
where: short stacking energy: -9.156
Base-Backbone interact. energy: 0.598
local terms energy: -38.358662
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: 1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -63.715953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.715953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.715953 (E_RNA)
where:
Base-Base interactions energy: -26.011
where: short stacking energy: -8.656
Base-Backbone interact. energy: 1.530
local terms energy: -39.235689
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -7.293
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -183.754525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.754525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.754525 (E_RNA)
where:
Base-Base interactions energy: -120.735
where: short stacking energy: -42.405
Base-Backbone interact. energy: 0.342
local terms energy: -63.361412
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -8.129
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: 2, replica: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -175.193707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.193707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.193707 (E_RNA)
where:
Base-Base interactions energy: -113.380
where: short stacking energy: -45.967
Base-Backbone interact. energy: -0.079
local terms energy: -61.734347
where:
bonds (distance) C4'-P energy: -10.515
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -9.130
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: 3, replica: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -172.072303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.072303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.072303 (E_RNA)
where:
Base-Base interactions energy: -108.621
where: short stacking energy: -43.159
Base-Backbone interact. energy: -0.003
local terms energy: -63.448710
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -14.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -83.109954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.109954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.109954 (E_RNA)
where:
Base-Base interactions energy: -37.088
where: short stacking energy: -27.642
Base-Backbone interact. energy: -0.005
local terms energy: -46.016854
where:
bonds (distance) C4'-P energy: -8.825
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -137.021872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.021872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.021872 (E_RNA)
where:
Base-Base interactions energy: -91.906
where: short stacking energy: -24.474
Base-Backbone interact. energy: 0.266
local terms energy: -45.381881
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -6.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -72.871461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.871461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.871461 (E_RNA)
where:
Base-Base interactions energy: -25.957
where: short stacking energy: -23.217
Base-Backbone interact. energy: -0.166
local terms energy: -46.748300
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -8.702
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -6.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -102.578627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.578627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.578627 (E_RNA)
where:
Base-Base interactions energy: -59.783
where: short stacking energy: -23.350
Base-Backbone interact. energy: -1.074
local terms energy: -41.721523
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -7.880
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -5.372
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -58.483368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.483368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.483368 (E_RNA)
where:
Base-Base interactions energy: -17.203
where: short stacking energy: -17.203
Base-Backbone interact. energy: -0.107
local terms energy: -41.173046
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -65.917877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.917877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.917877 (E_RNA)
where:
Base-Base interactions energy: -26.722
where: short stacking energy: -18.211
Base-Backbone interact. energy: -0.146
local terms energy: -39.049934
where:
bonds (distance) C4'-P energy: -7.148
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -8.273
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -56.223907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.223907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.223907 (E_RNA)
where:
Base-Base interactions energy: -17.843
where: short stacking energy: -17.843
Base-Backbone interact. energy: -0.054
local terms energy: -38.326626
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -5.623
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -5.004
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: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -180.676140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.676140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.676140 (E_RNA)
where:
Base-Base interactions energy: -118.440
where: short stacking energy: -48.678
Base-Backbone interact. energy: -0.008
local terms energy: -62.228204
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -13.781
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: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -166.741812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.741812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.741812 (E_RNA)
where:
Base-Base interactions energy: -115.871
where: short stacking energy: -44.409
Base-Backbone interact. energy: -0.553
local terms energy: -50.318178
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -7.807
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -14.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -181.194701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.194701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.194701 (E_RNA)
where:
Base-Base interactions energy: -116.423
where: short stacking energy: -48.394
Base-Backbone interact. energy: -0.005
local terms energy: -64.767470
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -89.905767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.905767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.905767 (E_RNA)
where:
Base-Base interactions energy: -44.952
where: short stacking energy: -28.378
Base-Backbone interact. energy: -0.838
local terms energy: -44.115116
where:
bonds (distance) C4'-P energy: -7.911
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: -5.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -155.910156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.910156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.910156 (E_RNA)
where:
Base-Base interactions energy: -103.727
where: short stacking energy: -36.021
Base-Backbone interact. energy: -0.115
local terms energy: -52.068027
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -9.043
flat angles C4'-P-C4' energy: -9.578
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -11.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -86.443420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.443420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.443420 (E_RNA)
where:
Base-Base interactions energy: -43.510
where: short stacking energy: -25.316
Base-Backbone interact. energy: 0.226
local terms energy: -43.160051
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -63.879475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.879475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.879475 (E_RNA)
where:
Base-Base interactions energy: -19.455
where: short stacking energy: -16.888
Base-Backbone interact. energy: -0.020
local terms energy: -44.404384
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -5.112
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: 8, replica: 3
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -75.471109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.471109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.471109 (E_RNA)
where:
Base-Base interactions energy: -29.084
where: short stacking energy: -19.093
Base-Backbone interact. energy: -0.128
local terms energy: -46.259507
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -58.129846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.129846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.129846 (E_RNA)
where:
Base-Base interactions energy: -24.731
where: short stacking energy: -11.529
Base-Backbone interact. energy: -0.214
local terms energy: -33.184978
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -8.447
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: 5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -63.375525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.375525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.375525 (E_RNA)
where:
Base-Base interactions energy: -28.478
where: short stacking energy: -7.759
Base-Backbone interact. energy: -0.999
local terms energy: -33.898515
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -11.153
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: 4.125
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: 323
Temperature: 0.900000
Total energy: -174.078585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.078585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.078585 (E_RNA)
where:
Base-Base interactions energy: -114.328
where: short stacking energy: -47.982
Base-Backbone interact. energy: -0.001
local terms energy: -59.749745
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -6.998
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: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -176.311112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.311112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.311112 (E_RNA)
where:
Base-Base interactions energy: -122.599
where: short stacking energy: -48.217
Base-Backbone interact. energy: -0.377
local terms energy: -53.335715
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: -14.996
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: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -170.534692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.534692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.534692 (E_RNA)
where:
Base-Base interactions energy: -113.258
where: short stacking energy: -45.334
Base-Backbone interact. energy: -0.017
local terms energy: -57.259145
where:
bonds (distance) C4'-P energy: -6.796
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -151.027252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.027252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.027252 (E_RNA)
where:
Base-Base interactions energy: -93.763
where: short stacking energy: -35.838
Base-Backbone interact. energy: -0.019
local terms energy: -57.245262
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -12.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -70.258908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.258908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.258908 (E_RNA)
where:
Base-Base interactions energy: -27.493
where: short stacking energy: -12.908
Base-Backbone interact. energy: -0.136
local terms energy: -42.630114
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -6.478
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: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -64.472737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.472737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.472737 (E_RNA)
where:
Base-Base interactions energy: -18.158
where: short stacking energy: -17.054
Base-Backbone interact. energy: -0.133
local terms energy: -46.181815
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -10.052
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -4.063
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: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -75.124306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.124306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.124306 (E_RNA)
where:
Base-Base interactions energy: -30.271
where: short stacking energy: -11.540
Base-Backbone interact. energy: -0.110
local terms energy: -44.743673
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -4.338
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: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -76.978716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.978716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.978716 (E_RNA)
where:
Base-Base interactions energy: -28.569
where: short stacking energy: -21.786
Base-Backbone interact. energy: -0.042
local terms energy: -48.367754
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -8.479
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -5.618
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: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -62.333849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.333849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.333849 (E_RNA)
where:
Base-Base interactions energy: -28.528
where: short stacking energy: -7.743
Base-Backbone interact. energy: -0.500
local terms energy: -33.305526
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -12.101
flat angles C4'-P-C4' energy: -8.005
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: 7.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -69.538432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.538432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.538432 (E_RNA)
where:
Base-Base interactions energy: -34.820
where: short stacking energy: -23.216
Base-Backbone interact. energy: -0.147
local terms energy: -34.571295
where:
bonds (distance) C4'-P energy: -9.476
bonds (distance) P-C4' energy: -8.427
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -4.478
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: 1, replica: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -185.648760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.648760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.648760 (E_RNA)
where:
Base-Base interactions energy: -119.116
where: short stacking energy: -49.487
Base-Backbone interact. energy: -0.058
local terms energy: -66.474812
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -179.008621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.008621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.008621 (E_RNA)
where:
Base-Base interactions energy: -115.491
where: short stacking energy: -46.644
Base-Backbone interact. energy: -0.008
local terms energy: -63.509344
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -17.151
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: 6
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -181.157026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.157026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.157026 (E_RNA)
where:
Base-Base interactions energy: -116.481
where: short stacking energy: -47.309
Base-Backbone interact. energy: -0.025
local terms energy: -64.651380
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -17.667
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: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -146.409956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.409956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.409956 (E_RNA)
where:
Base-Base interactions energy: -94.752
where: short stacking energy: -27.231
Base-Backbone interact. energy: -0.570
local terms energy: -51.087998
where:
bonds (distance) C4'-P energy: -8.198
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -10.345
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: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -76.431938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.431938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.431938 (E_RNA)
where:
Base-Base interactions energy: -32.367
where: short stacking energy: -16.833
Base-Backbone interact. energy: 0.496
local terms energy: -44.561590
where:
bonds (distance) C4'-P energy: -8.966
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -65.877181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.877181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.877181 (E_RNA)
where:
Base-Base interactions energy: -27.823
where: short stacking energy: -13.083
Base-Backbone interact. energy: -0.096
local terms energy: -37.958848
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -6.214
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -4.424
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: 7, replica: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -69.809030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.809030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.809030 (E_RNA)
where:
Base-Base interactions energy: -35.649
where: short stacking energy: -15.628
Base-Backbone interact. energy: -0.183
local terms energy: -33.977159
where:
bonds (distance) C4'-P energy: -6.638
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -9.690
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: 1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -82.579972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.579972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.579972 (E_RNA)
where:
Base-Base interactions energy: -36.332
where: short stacking energy: -10.722
Base-Backbone interact. energy: -0.583
local terms energy: -45.665096
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -12.502
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: 0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -78.649033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.649033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.649033 (E_RNA)
where:
Base-Base interactions energy: -39.999
where: short stacking energy: -20.219
Base-Backbone interact. energy: -0.140
local terms energy: -38.510198
where:
bonds (distance) C4'-P energy: -9.873
bonds (distance) P-C4' energy: -8.873
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -4.367
tors. eta vs tors. theta energy: -3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -76.392569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.392569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.392569 (E_RNA)
where:
Base-Base interactions energy: -33.182
where: short stacking energy: -13.299
Base-Backbone interact. energy: -0.191
local terms energy: -43.019699
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: -3.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -179.732544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.732544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.732544 (E_RNA)
where:
Base-Base interactions energy: -115.976
where: short stacking energy: -46.029
Base-Backbone interact. energy: -0.008
local terms energy: -63.747971
where:
bonds (distance) C4'-P energy: -9.102
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -9.812
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: 2, replica: 6
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -175.514390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.514390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.514390 (E_RNA)
where:
Base-Base interactions energy: -113.782
where: short stacking energy: -47.283
Base-Backbone interact. energy: -0.029
local terms energy: -61.703076
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -17.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -177.617132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.617132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.617132 (E_RNA)
where:
Base-Base interactions energy: -119.177
where: short stacking energy: -44.642
Base-Backbone interact. energy: -0.027
local terms energy: -58.412878
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -13.264
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: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -166.850909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.850909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.850909 (E_RNA)
where:
Base-Base interactions energy: -110.125
where: short stacking energy: -47.856
Base-Backbone interact. energy: -0.015
local terms energy: -56.710585
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -9.321
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -13.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -74.272337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.272337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.272337 (E_RNA)
where:
Base-Base interactions energy: -32.722
where: short stacking energy: -24.505
Base-Backbone interact. energy: 0.072
local terms energy: -41.621787
where:
bonds (distance) C4'-P energy: -9.315
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -3.319
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -78.995090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.995090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.995090 (E_RNA)
where:
Base-Base interactions energy: -30.395
where: short stacking energy: -16.443
Base-Backbone interact. energy: 0.954
local terms energy: -49.554807
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -7.480
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: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -68.451841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.451841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.451841 (E_RNA)
where:
Base-Base interactions energy: -23.244
where: short stacking energy: -10.464
Base-Backbone interact. energy: -0.113
local terms energy: -45.095510
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -8.813
flat angles P-C4'-P energy: -6.413
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: 8, replica: 2
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -64.646832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.646832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.646832 (E_RNA)
where:
Base-Base interactions energy: -29.824
where: short stacking energy: -9.022
Base-Backbone interact. energy: -1.120
local terms energy: -33.702640
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -9.520
flat angles P-C4'-P energy: -3.069
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: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -59.768445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.768445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.768445 (E_RNA)
where:
Base-Base interactions energy: -21.068
where: short stacking energy: -13.739
Base-Backbone interact. energy: -0.432
local terms energy: -38.269140
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -6.203
flat angles C4'-P-C4' energy: -7.923
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -66.098008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.098008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.098008 (E_RNA)
where:
Base-Base interactions energy: -36.222
where: short stacking energy: -15.281
Base-Backbone interact. energy: -0.104
local terms energy: -29.771387
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -4.566
flat angles P-C4'-P energy: -5.426
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: 326
Temperature: 0.900000
Total energy: -188.006427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.006427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.006427 (E_RNA)
where:
Base-Base interactions energy: -121.919
where: short stacking energy: -51.753
Base-Backbone interact. energy: -0.013
local terms energy: -66.075213
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -8.861
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: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -182.190986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.190986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.190986 (E_RNA)
where:
Base-Base interactions energy: -116.330
where: short stacking energy: -50.857
Base-Backbone interact. energy: 0.176
local terms energy: -66.036601
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -173.573054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.573054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.573054 (E_RNA)
where:
Base-Base interactions energy: -109.779
where: short stacking energy: -45.758
Base-Backbone interact. energy: -0.627
local terms energy: -63.167075
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -15.343
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: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -158.104000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.104000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.104000 (E_RNA)
where:
Base-Base interactions energy: -100.547
where: short stacking energy: -41.861
Base-Backbone interact. energy: -0.003
local terms energy: -57.554431
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -8.950
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -14.996
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: 5, replica: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -79.903848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.903848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.903848 (E_RNA)
where:
Base-Base interactions energy: -40.270
where: short stacking energy: -22.267
Base-Backbone interact. energy: 1.094
local terms energy: -40.727763
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -9.148
flat angles C4'-P-C4' energy: -10.921
flat angles P-C4'-P energy: -5.772
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: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -79.080785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.080785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.080785 (E_RNA)
where:
Base-Base interactions energy: -28.556
where: short stacking energy: -24.866
Base-Backbone interact. energy: -0.279
local terms energy: -50.245846
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -8.245
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -65.865534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.865534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.865534 (E_RNA)
where:
Base-Base interactions energy: -28.583
where: short stacking energy: -12.488
Base-Backbone interact. energy: -1.432
local terms energy: -35.851066
where:
bonds (distance) C4'-P energy: -8.479
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: 2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -62.013228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.013228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.013228 (E_RNA)
where:
Base-Base interactions energy: -25.235
where: short stacking energy: -18.247
Base-Backbone interact. energy: -0.050
local terms energy: -36.728016
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -7.699
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -5.239
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: 9, replica: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -68.910182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.910182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.910182 (E_RNA)
where:
Base-Base interactions energy: -34.684
where: short stacking energy: -20.476
Base-Backbone interact. energy: 0.394
local terms energy: -34.619349
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -3.835
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: 10, replica: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -62.034571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.034571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.034571 (E_RNA)
where:
Base-Base interactions energy: -23.108
where: short stacking energy: -9.034
Base-Backbone interact. energy: -0.595
local terms energy: -38.331602
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -10.442
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -3.651
tors. eta vs tors. theta energy: -1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -180.134093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.134093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.134093 (E_RNA)
where:
Base-Base interactions energy: -115.374
where: short stacking energy: -47.633
Base-Backbone interact. energy: -0.001
local terms energy: -64.759507
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -180.147767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.147767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.147767 (E_RNA)
where:
Base-Base interactions energy: -116.950
where: short stacking energy: -51.655
Base-Backbone interact. energy: -0.019
local terms energy: -63.179232
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -170.741618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.741618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.741618 (E_RNA)
where:
Base-Base interactions energy: -119.764
where: short stacking energy: -46.614
Base-Backbone interact. energy: -0.006
local terms energy: -50.971602
where:
bonds (distance) C4'-P energy: -5.756
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -7.090
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -127.731591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.731591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.731591 (E_RNA)
where:
Base-Base interactions energy: -74.793
where: short stacking energy: -39.077
Base-Backbone interact. energy: -0.742
local terms energy: -52.196834
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -11.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -77.866182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.866182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.866182 (E_RNA)
where:
Base-Base interactions energy: -34.350
where: short stacking energy: -23.744
Base-Backbone interact. energy: 0.123
local terms energy: -43.639623
where:
bonds (distance) C4'-P energy: -6.536
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -7.902
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: 6, replica: 2
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -69.352499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.352499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.352499 (E_RNA)
where:
Base-Base interactions energy: -25.795
where: short stacking energy: -21.151
Base-Backbone interact. energy: -0.027
local terms energy: -43.529861
where:
bonds (distance) C4'-P energy: -7.893
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -6.190
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -5.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -78.888362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.888362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.888362 (E_RNA)
where:
Base-Base interactions energy: -38.377
where: short stacking energy: -21.506
Base-Backbone interact. energy: -0.055
local terms energy: -40.456401
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -9.409
flat angles P-C4'-P energy: -5.290
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: 8, replica: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -72.877824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.877824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.877824 (E_RNA)
where:
Base-Base interactions energy: -29.558
where: short stacking energy: -9.515
Base-Backbone interact. energy: -0.249
local terms energy: -43.070832
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -9.274
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -4.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -60.558097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.558097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.558097 (E_RNA)
where:
Base-Base interactions energy: -24.578
where: short stacking energy: -15.661
Base-Backbone interact. energy: -0.057
local terms energy: -35.923316
where:
bonds (distance) C4'-P energy: -9.696
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: -0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -59.231537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.231537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.231537 (E_RNA)
where:
Base-Base interactions energy: -14.438
where: short stacking energy: -10.760
Base-Backbone interact. energy: -0.264
local terms energy: -44.530052
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: 2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -182.802275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.802275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.802275 (E_RNA)
where:
Base-Base interactions energy: -126.366
where: short stacking energy: -46.076
Base-Backbone interact. energy: -0.530
local terms energy: -55.906020
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -5.539
tors. eta vs tors. theta energy: -14.846
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: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -175.901235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.901235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.901235 (E_RNA)
where:
Base-Base interactions energy: -116.767
where: short stacking energy: -40.593
Base-Backbone interact. energy: -0.074
local terms energy: -59.059551
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -11.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -177.795868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.795868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.795868 (E_RNA)
where:
Base-Base interactions energy: -118.408
where: short stacking energy: -47.707
Base-Backbone interact. energy: -0.141
local terms energy: -59.247463
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -141.276482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.276482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.276482 (E_RNA)
where:
Base-Base interactions energy: -85.199
where: short stacking energy: -33.670
Base-Backbone interact. energy: -0.004
local terms energy: -56.073622
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -14.780
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: 2
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -77.501951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.501951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.501951 (E_RNA)
where:
Base-Base interactions energy: -34.470
where: short stacking energy: -22.292
Base-Backbone interact. energy: -0.754
local terms energy: -42.278097
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -8.779
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -76.746672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.746672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.746672 (E_RNA)
where:
Base-Base interactions energy: -39.343
where: short stacking energy: -17.529
Base-Backbone interact. energy: -0.071
local terms energy: -37.332347
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -0.425
tors. eta vs tors. theta energy: -3.316
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: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -88.932738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.932738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.932738 (E_RNA)
where:
Base-Base interactions energy: -45.880
where: short stacking energy: -13.989
Base-Backbone interact. energy: -0.130
local terms energy: -42.922181
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -62.845117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.845117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.845117 (E_RNA)
where:
Base-Base interactions energy: -24.846
where: short stacking energy: -10.609
Base-Backbone interact. energy: -0.235
local terms energy: -37.763999
where:
bonds (distance) C4'-P energy: -7.326
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -11.366
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: 9, replica: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -63.096833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.096833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.096833 (E_RNA)
where:
Base-Base interactions energy: -19.125
where: short stacking energy: -19.125
Base-Backbone interact. energy: -0.409
local terms energy: -43.562618
where:
bonds (distance) C4'-P energy: -7.745
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -63.148060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.148060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.148060 (E_RNA)
where:
Base-Base interactions energy: -26.080
where: short stacking energy: -2.237
Base-Backbone interact. energy: -0.187
local terms energy: -36.881545
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: 2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -177.112319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.112319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.112319 (E_RNA)
where:
Base-Base interactions energy: -117.194
where: short stacking energy: -42.677
Base-Backbone interact. energy: -0.398
local terms energy: -59.519579
where:
bonds (distance) C4'-P energy: -9.269
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -175.494351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.494351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.494351 (E_RNA)
where:
Base-Base interactions energy: -110.467
where: short stacking energy: -42.035
Base-Backbone interact. energy: 0.188
local terms energy: -65.215702
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -10.081
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: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -178.670706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.670706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.670706 (E_RNA)
where:
Base-Base interactions energy: -117.525
where: short stacking energy: -40.782
Base-Backbone interact. energy: -0.044
local terms energy: -61.102000
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -9.121
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: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -168.806732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.806732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.806732 (E_RNA)
where:
Base-Base interactions energy: -114.408
where: short stacking energy: -40.601
Base-Backbone interact. energy: -0.097
local terms energy: -54.301121
where:
bonds (distance) C4'-P energy: -7.472
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -11.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -75.390418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.390418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.390418 (E_RNA)
where:
Base-Base interactions energy: -33.377
where: short stacking energy: -17.463
Base-Backbone interact. energy: -0.442
local terms energy: -41.570634
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -66.245628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.245628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.245628 (E_RNA)
where:
Base-Base interactions energy: -24.364
where: short stacking energy: -12.882
Base-Backbone interact. energy: -0.870
local terms energy: -41.011765
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -74.768119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.768119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.768119 (E_RNA)
where:
Base-Base interactions energy: -38.196
where: short stacking energy: -10.582
Base-Backbone interact. energy: -0.360
local terms energy: -36.211595
where:
bonds (distance) C4'-P energy: -9.356
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: 4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -63.333750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.333750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.333750 (E_RNA)
where:
Base-Base interactions energy: -16.456
where: short stacking energy: -13.322
Base-Backbone interact. energy: -0.624
local terms energy: -46.253878
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -69.336090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.336090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.336090 (E_RNA)
where:
Base-Base interactions energy: -31.825
where: short stacking energy: -11.429
Base-Backbone interact. energy: -0.131
local terms energy: -37.380499
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: 3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -60.893350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.893350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.893350 (E_RNA)
where:
Base-Base interactions energy: -17.986
where: short stacking energy: -17.813
Base-Backbone interact. energy: -0.279
local terms energy: -42.628141
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -11.027
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -6.107
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: 1, replica: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -180.332899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.332899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.332899 (E_RNA)
where:
Base-Base interactions energy: -116.669
where: short stacking energy: -48.838
Base-Backbone interact. energy: -0.011
local terms energy: -63.652875
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -18.531
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: 330
Temperature: 0.950000
Total energy: -180.398997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.398997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.398997 (E_RNA)
where:
Base-Base interactions energy: -117.115
where: short stacking energy: -44.195
Base-Backbone interact. energy: -0.004
local terms energy: -63.280447
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -11.131
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: 3, replica: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -177.999026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.999026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.999026 (E_RNA)
where:
Base-Base interactions energy: -122.697
where: short stacking energy: -41.103
Base-Backbone interact. energy: 0.779
local terms energy: -56.080993
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -11.051
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: 330
Temperature: 1.050000
Total energy: -176.057657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.057657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.057657 (E_RNA)
where:
Base-Base interactions energy: -119.410
where: short stacking energy: -42.545
Base-Backbone interact. energy: -1.488
local terms energy: -55.159117
where:
bonds (distance) C4'-P energy: -8.657
bonds (distance) P-C4' energy: -10.252
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -13.631
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: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -90.330231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.330231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.330231 (E_RNA)
where:
Base-Base interactions energy: -37.130
where: short stacking energy: -25.929
Base-Backbone interact. energy: -0.023
local terms energy: -53.176775
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -7.617
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: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -74.604524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.604524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.604524 (E_RNA)
where:
Base-Base interactions energy: -27.702
where: short stacking energy: -21.485
Base-Backbone interact. energy: -0.105
local terms energy: -46.797764
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -7.557
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: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -66.371948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.371948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.371948 (E_RNA)
where:
Base-Base interactions energy: -24.436
where: short stacking energy: -15.529
Base-Backbone interact. energy: -0.042
local terms energy: -41.894231
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -5.977
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -64.292132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.292132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.292132 (E_RNA)
where:
Base-Base interactions energy: -21.982
where: short stacking energy: -14.011
Base-Backbone interact. energy: -0.274
local terms energy: -42.036317
where:
bonds (distance) C4'-P energy: -7.504
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -1.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -60.891089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.891089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.891089 (E_RNA)
where:
Base-Base interactions energy: -19.899
where: short stacking energy: -8.435
Base-Backbone interact. energy: -0.057
local terms energy: -40.935812
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: 3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -64.582043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.582043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.582043 (E_RNA)
where:
Base-Base interactions energy: -24.749
where: short stacking energy: -9.737
Base-Backbone interact. energy: -1.195
local terms energy: -38.637801
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -10.378
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -185.130299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.130299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.130299 (E_RNA)
where:
Base-Base interactions energy: -120.545
where: short stacking energy: -50.038
Base-Backbone interact. energy: -0.423
local terms energy: -64.162744
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -8.429
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: 2, replica: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -172.507157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.507157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.507157 (E_RNA)
where:
Base-Base interactions energy: -109.115
where: short stacking energy: -46.672
Base-Backbone interact. energy: 0.162
local terms energy: -63.554427
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -9.836
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: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -166.374216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.374216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.374216 (E_RNA)
where:
Base-Base interactions energy: -106.973
where: short stacking energy: -40.189
Base-Backbone interact. energy: -0.003
local terms energy: -59.398995
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -14.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -171.637440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.637440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.637440 (E_RNA)
where:
Base-Base interactions energy: -109.545
where: short stacking energy: -41.631
Base-Backbone interact. energy: -0.003
local terms energy: -62.090406
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -12.260
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: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -74.845948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.845948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.845948 (E_RNA)
where:
Base-Base interactions energy: -28.577
where: short stacking energy: -20.739
Base-Backbone interact. energy: -0.604
local terms energy: -45.664243
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -9.921
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -3.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -69.910015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.910015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.910015 (E_RNA)
where:
Base-Base interactions energy: -28.196
where: short stacking energy: -24.357
Base-Backbone interact. energy: -0.090
local terms energy: -41.623977
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -4.096
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -66.437033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.437033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.437033 (E_RNA)
where:
Base-Base interactions energy: -24.081
where: short stacking energy: -21.123
Base-Backbone interact. energy: -0.060
local terms energy: -42.295546
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -9.438
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -64.898185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.898185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.898185 (E_RNA)
where:
Base-Base interactions energy: -24.159
where: short stacking energy: -13.636
Base-Backbone interact. energy: -0.074
local terms energy: -40.665093
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -7.502
flat angles C4'-P-C4' energy: -10.044
flat angles P-C4'-P energy: -7.074
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: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -62.617418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.617418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.617418 (E_RNA)
where:
Base-Base interactions energy: -17.440
where: short stacking energy: -16.770
Base-Backbone interact. energy: -0.210
local terms energy: -44.967526
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -4.513
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: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -64.942130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.942130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.942130 (E_RNA)
where:
Base-Base interactions energy: -29.466
where: short stacking energy: -15.571
Base-Backbone interact. energy: 0.707
local terms energy: -36.183870
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -9.493
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: 1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -185.254648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.254648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.254648 (E_RNA)
where:
Base-Base interactions energy: -120.112
where: short stacking energy: -49.208
Base-Backbone interact. energy: -0.016
local terms energy: -65.126200
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -18.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -178.991176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.991176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.991176 (E_RNA)
where:
Base-Base interactions energy: -112.778
where: short stacking energy: -46.113
Base-Backbone interact. energy: -0.101
local terms energy: -66.111261
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -165.274263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.274263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.274263 (E_RNA)
where:
Base-Base interactions energy: -110.023
where: short stacking energy: -41.960
Base-Backbone interact. energy: -0.091
local terms energy: -55.161037
where:
bonds (distance) C4'-P energy: -12.382
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -4.841
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: 4, replica: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -173.234646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.234646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.234646 (E_RNA)
where:
Base-Base interactions energy: -111.638
where: short stacking energy: -44.084
Base-Backbone interact. energy: -0.428
local terms energy: -61.168694
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -71.737807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.737807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.737807 (E_RNA)
where:
Base-Base interactions energy: -27.379
where: short stacking energy: -19.570
Base-Backbone interact. energy: -0.527
local terms energy: -43.832037
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -1.639
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: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -64.583942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.583942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.583942 (E_RNA)
where:
Base-Base interactions energy: -16.045
where: short stacking energy: -9.763
Base-Backbone interact. energy: -0.468
local terms energy: -48.070906
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -10.691
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: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -69.307561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.307561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.307561 (E_RNA)
where:
Base-Base interactions energy: -26.600
where: short stacking energy: -18.826
Base-Backbone interact. energy: -0.108
local terms energy: -42.600287
where:
bonds (distance) C4'-P energy: -8.247
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -6.967
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: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -56.903464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.903464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.903464 (E_RNA)
where:
Base-Base interactions energy: -13.441
where: short stacking energy: -13.441
Base-Backbone interact. energy: -0.930
local terms energy: -42.532927
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: 0.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -54.564656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.564656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.564656 (E_RNA)
where:
Base-Base interactions energy: -7.659
where: short stacking energy: -6.890
Base-Backbone interact. energy: -0.024
local terms energy: -46.881525
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -61.491438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.491438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.491438 (E_RNA)
where:
Base-Base interactions energy: -18.733
where: short stacking energy: -17.917
Base-Backbone interact. energy: -0.283
local terms energy: -42.475258
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: 0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -181.539535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.539535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.539535 (E_RNA)
where:
Base-Base interactions energy: -114.878
where: short stacking energy: -46.048
Base-Backbone interact. energy: -0.002
local terms energy: -66.660306
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -173.034821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.034821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.034821 (E_RNA)
where:
Base-Base interactions energy: -113.732
where: short stacking energy: -42.792
Base-Backbone interact. energy: -0.034
local terms energy: -59.268860
where:
bonds (distance) C4'-P energy: -8.917
bonds (distance) P-C4' energy: -10.447
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -175.470856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.470856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.470856 (E_RNA)
where:
Base-Base interactions energy: -112.966
where: short stacking energy: -40.851
Base-Backbone interact. energy: 0.280
local terms energy: -62.785132
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -13.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -169.562633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.562633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.562633 (E_RNA)
where:
Base-Base interactions energy: -117.608
where: short stacking energy: -43.874
Base-Backbone interact. energy: -0.038
local terms energy: -51.916566
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -4.382
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -91.770364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.770364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.770364 (E_RNA)
where:
Base-Base interactions energy: -47.263
where: short stacking energy: -26.014
Base-Backbone interact. energy: -0.003
local terms energy: -44.504076
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -3.891
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -71.849615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.849615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.849615 (E_RNA)
where:
Base-Base interactions energy: -19.959
where: short stacking energy: -20.759
Base-Backbone interact. energy: -0.079
local terms energy: -51.812406
where:
bonds (distance) C4'-P energy: -11.695
bonds (distance) P-C4' energy: -12.043
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -10.432
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: 7, replica: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -69.803332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.803332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.803332 (E_RNA)
where:
Base-Base interactions energy: -24.136
where: short stacking energy: -12.660
Base-Backbone interact. energy: -0.912
local terms energy: -44.754870
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -3.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -56.363854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.363854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.363854 (E_RNA)
where:
Base-Base interactions energy: -15.230
where: short stacking energy: -15.230
Base-Backbone interact. energy: 0.223
local terms energy: -41.357088
where:
bonds (distance) C4'-P energy: -8.502
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -7.575
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -2.506
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: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -63.538712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.538712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.538712 (E_RNA)
where:
Base-Base interactions energy: -18.364
where: short stacking energy: -19.064
Base-Backbone interact. energy: -0.120
local terms energy: -45.054940
where:
bonds (distance) C4'-P energy: -8.357
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -3.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -66.726806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.726806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.726806 (E_RNA)
where:
Base-Base interactions energy: -22.260
where: short stacking energy: -10.389
Base-Backbone interact. energy: -0.111
local terms energy: -44.355646
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -8.194
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -185.070703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.070703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.070703 (E_RNA)
where:
Base-Base interactions energy: -116.493
where: short stacking energy: -49.008
Base-Backbone interact. energy: -0.006
local terms energy: -68.571836
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -9.564
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: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -178.131774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.131774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.131774 (E_RNA)
where:
Base-Base interactions energy: -120.368
where: short stacking energy: -48.498
Base-Backbone interact. energy: 0.570
local terms energy: -58.334103
where:
bonds (distance) C4'-P energy: -10.151
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -9.108
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: 3, replica: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -178.161648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.161648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.161648 (E_RNA)
where:
Base-Base interactions energy: -113.089
where: short stacking energy: -45.547
Base-Backbone interact. energy: -0.000
local terms energy: -65.072789
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -17.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -170.219941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.219941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.219941 (E_RNA)
where:
Base-Base interactions energy: -110.964
where: short stacking energy: -46.537
Base-Backbone interact. energy: -0.466
local terms energy: -58.789342
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -119.621987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.621987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.621987 (E_RNA)
where:
Base-Base interactions energy: -77.401
where: short stacking energy: -24.501
Base-Backbone interact. energy: 0.844
local terms energy: -43.065270
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -3.879
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: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -68.856809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.856809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.856809 (E_RNA)
where:
Base-Base interactions energy: -27.638
where: short stacking energy: -27.638
Base-Backbone interact. energy: 0.484
local terms energy: -41.703099
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -9.000
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -1.799
tors. eta vs tors. theta energy: -6.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -80.508044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.508044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.508044 (E_RNA)
where:
Base-Base interactions energy: -42.208
where: short stacking energy: -12.724
Base-Backbone interact. energy: -0.106
local terms energy: -38.193791
where:
bonds (distance) C4'-P energy: -9.699
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -5.896
flat angles P-C4'-P energy: -8.995
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: 9
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -68.077778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.077778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.077778 (E_RNA)
where:
Base-Base interactions energy: -20.406
where: short stacking energy: -18.556
Base-Backbone interact. energy: -0.081
local terms energy: -47.590256
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -9.327
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -4.136
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: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -56.383617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.383617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.383617 (E_RNA)
where:
Base-Base interactions energy: -16.748
where: short stacking energy: -14.851
Base-Backbone interact. energy: -1.091
local terms energy: -38.544299
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: 0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -61.835874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.835874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.835874 (E_RNA)
where:
Base-Base interactions energy: -27.729
where: short stacking energy: -14.471
Base-Backbone interact. energy: -0.161
local terms energy: -33.945566
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -5.440
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -7.836
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: 1, replica: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -185.135658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.135658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.135658 (E_RNA)
where:
Base-Base interactions energy: -115.573
where: short stacking energy: -49.112
Base-Backbone interact. energy: -0.006
local terms energy: -69.556785
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -18.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -173.905553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.905553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.905553 (E_RNA)
where:
Base-Base interactions energy: -113.342
where: short stacking energy: -39.398
Base-Backbone interact. energy: -0.453
local terms energy: -60.110910
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -175.779396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.779396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.779396 (E_RNA)
where:
Base-Base interactions energy: -107.404
where: short stacking energy: -40.658
Base-Backbone interact. energy: 0.353
local terms energy: -68.728360
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -11.574
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: 4, replica: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -142.757575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.757575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.757575 (E_RNA)
where:
Base-Base interactions energy: -88.659
where: short stacking energy: -33.787
Base-Backbone interact. energy: -0.638
local terms energy: -53.460056
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -9.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -86.243036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.243036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.243036 (E_RNA)
where:
Base-Base interactions energy: -38.025
where: short stacking energy: -17.543
Base-Backbone interact. energy: -0.135
local terms energy: -48.082539
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -9.042
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -8.627
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: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -87.950431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.950431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.950431 (E_RNA)
where:
Base-Base interactions energy: -49.118
where: short stacking energy: -26.798
Base-Backbone interact. energy: -0.000
local terms energy: -38.832133
where:
bonds (distance) C4'-P energy: -9.280
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -2.299
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: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -75.235971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.235971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.235971 (E_RNA)
where:
Base-Base interactions energy: -38.312
where: short stacking energy: -29.847
Base-Backbone interact. energy: -0.009
local terms energy: -36.914242
where:
bonds (distance) C4'-P energy: -6.606
bonds (distance) P-C4' energy: -8.477
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -4.025
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: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -81.953770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.953770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.953770 (E_RNA)
where:
Base-Base interactions energy: -44.870
where: short stacking energy: -21.225
Base-Backbone interact. energy: -0.156
local terms energy: -36.927562
where:
bonds (distance) C4'-P energy: -7.918
bonds (distance) P-C4' energy: -9.257
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -1.585
tors. eta vs tors. theta energy: -5.953
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: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -65.757497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.757497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.757497 (E_RNA)
where:
Base-Base interactions energy: -30.586
where: short stacking energy: -8.306
Base-Backbone interact. energy: -0.107
local terms energy: -35.063909
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -2.031
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: 10, replica: 2
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -56.065709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.065709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.065709 (E_RNA)
where:
Base-Base interactions energy: -11.756
where: short stacking energy: -11.429
Base-Backbone interact. energy: -0.486
local terms energy: -43.823778
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: 3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -180.073699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.073699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.073699 (E_RNA)
where:
Base-Base interactions energy: -113.557
where: short stacking energy: -48.942
Base-Backbone interact. energy: -0.070
local terms energy: -66.446788
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -17.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -182.875045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.875045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.875045 (E_RNA)
where:
Base-Base interactions energy: -114.772
where: short stacking energy: -44.278
Base-Backbone interact. energy: -0.874
local terms energy: -67.229269
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -176.658617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.658617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.658617 (E_RNA)
where:
Base-Base interactions energy: -117.954
where: short stacking energy: -43.176
Base-Backbone interact. energy: -0.432
local terms energy: -58.271765
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -139.510362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.510362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.510362 (E_RNA)
where:
Base-Base interactions energy: -95.232
where: short stacking energy: -28.357
Base-Backbone interact. energy: -0.261
local terms energy: -44.016663
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -8.839
flat angles P-C4'-P energy: -7.205
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: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -89.342549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.342549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.342549 (E_RNA)
where:
Base-Base interactions energy: -42.511
where: short stacking energy: -17.149
Base-Backbone interact. energy: -0.632
local terms energy: -46.199305
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -8.365
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -2.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -80.569342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.569342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.569342 (E_RNA)
where:
Base-Base interactions energy: -37.322
where: short stacking energy: -18.751
Base-Backbone interact. energy: -0.004
local terms energy: -43.243055
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -7.051
flat angles P-C4'-P energy: -6.718
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: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -92.010911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.010911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.010911 (E_RNA)
where:
Base-Base interactions energy: -46.955
where: short stacking energy: -25.149
Base-Backbone interact. energy: -0.157
local terms energy: -44.898554
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -76.626076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.626076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.626076 (E_RNA)
where:
Base-Base interactions energy: -39.870
where: short stacking energy: -12.602
Base-Backbone interact. energy: -0.120
local terms energy: -36.635951
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -1.499
tors. eta vs tors. theta energy: 1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -64.528740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.528740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.528740 (E_RNA)
where:
Base-Base interactions energy: -19.302
where: short stacking energy: -16.003
Base-Backbone interact. energy: -0.824
local terms energy: -44.402917
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -4.286
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: 10, replica: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -58.731313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.731313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.731313 (E_RNA)
where:
Base-Base interactions energy: -26.676
where: short stacking energy: -6.289
Base-Backbone interact. energy: -0.384
local terms energy: -31.671579
where:
bonds (distance) C4'-P energy: -7.137
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -7.259
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: 4.040
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: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -180.524826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.524826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.524826 (E_RNA)
where:
Base-Base interactions energy: -119.534
where: short stacking energy: -49.674
Base-Backbone interact. energy: -0.001
local terms energy: -60.989957
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -10.889
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -17.498
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: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -180.850969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.850969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.850969 (E_RNA)
where:
Base-Base interactions energy: -118.791
where: short stacking energy: -49.919
Base-Backbone interact. energy: -0.001
local terms energy: -62.058120
where:
bonds (distance) C4'-P energy: -7.791
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -9.693
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: 3, replica: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -167.574334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.574334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.574334 (E_RNA)
where:
Base-Base interactions energy: -112.473
where: short stacking energy: -37.364
Base-Backbone interact. energy: -0.205
local terms energy: -54.896864
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -10.471
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: 4, replica: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -139.089384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.089384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.089384 (E_RNA)
where:
Base-Base interactions energy: -93.075
where: short stacking energy: -34.063
Base-Backbone interact. energy: -0.094
local terms energy: -45.920184
where:
bonds (distance) C4'-P energy: -9.161
bonds (distance) P-C4' energy: -9.945
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -9.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -66.711570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.711570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.711570 (E_RNA)
where:
Base-Base interactions energy: -25.870
where: short stacking energy: -14.372
Base-Backbone interact. energy: -1.127
local terms energy: -39.714020
where:
bonds (distance) C4'-P energy: -8.800
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -8.936
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: 2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -80.295075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.295075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.295075 (E_RNA)
where:
Base-Base interactions energy: -44.946
where: short stacking energy: -18.352
Base-Backbone interact. energy: -0.217
local terms energy: -35.132065
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -9.270
flat angles C4'-P-C4' energy: -8.086
flat angles P-C4'-P energy: -5.730
tors. eta vs tors. theta energy: -1.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -68.774183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.774183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.774183 (E_RNA)
where:
Base-Base interactions energy: -23.401
where: short stacking energy: -12.823
Base-Backbone interact. energy: -0.434
local terms energy: -44.939120
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -59.237700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.237700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.237700 (E_RNA)
where:
Base-Base interactions energy: -20.777
where: short stacking energy: -14.075
Base-Backbone interact. energy: -0.276
local terms energy: -38.184261
where:
bonds (distance) C4'-P energy: -6.945
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: 1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -62.755235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.755235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.755235 (E_RNA)
where:
Base-Base interactions energy: -26.548
where: short stacking energy: -19.267
Base-Backbone interact. energy: -0.120
local terms energy: -36.086844
where:
bonds (distance) C4'-P energy: -5.906
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -5.346
tors. eta vs tors. theta energy: -0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -63.423701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.423701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.423701 (E_RNA)
where:
Base-Base interactions energy: -31.256
where: short stacking energy: -17.244
Base-Backbone interact. energy: -0.169
local terms energy: -31.997919
where:
bonds (distance) C4'-P energy: -5.809
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -5.700
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -7.021
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: 338
Temperature: 0.900000
Total energy: -181.718428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.718428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.718428 (E_RNA)
where:
Base-Base interactions energy: -117.668
where: short stacking energy: -45.476
Base-Backbone interact. energy: -0.609
local terms energy: -63.441095
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -171.907989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.907989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.907989 (E_RNA)
where:
Base-Base interactions energy: -108.604
where: short stacking energy: -43.382
Base-Backbone interact. energy: -0.011
local terms energy: -63.292084
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -170.310441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.310441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.310441 (E_RNA)
where:
Base-Base interactions energy: -111.808
where: short stacking energy: -45.861
Base-Backbone interact. energy: -0.002
local terms energy: -58.500326
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -137.841494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.841494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.841494 (E_RNA)
where:
Base-Base interactions energy: -83.424
where: short stacking energy: -36.069
Base-Backbone interact. energy: -0.002
local terms energy: -54.415456
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -12.389
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: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -97.065361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.065361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.065361 (E_RNA)
where:
Base-Base interactions energy: -46.585
where: short stacking energy: -29.145
Base-Backbone interact. energy: -0.117
local terms energy: -50.362896
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -4.976
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: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -69.005608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.005608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.005608 (E_RNA)
where:
Base-Base interactions energy: -26.107
where: short stacking energy: -21.408
Base-Backbone interact. energy: -0.172
local terms energy: -42.726948
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -4.550
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: 7, replica: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -68.984467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.984467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.984467 (E_RNA)
where:
Base-Base interactions energy: -29.646
where: short stacking energy: -17.050
Base-Backbone interact. energy: -0.042
local terms energy: -39.297311
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -9.483
flat angles C4'-P-C4' energy: -7.241
flat angles P-C4'-P energy: -10.583
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: 8, replica: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -73.138197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.138197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.138197 (E_RNA)
where:
Base-Base interactions energy: -26.210
where: short stacking energy: -25.721
Base-Backbone interact. energy: -0.120
local terms energy: -46.807924
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -2.741
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -66.590199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.590199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.590199 (E_RNA)
where:
Base-Base interactions energy: -26.984
where: short stacking energy: -12.565
Base-Backbone interact. energy: -0.050
local terms energy: -39.556950
where:
bonds (distance) C4'-P energy: -9.120
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: 2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -57.207717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.207717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.207717 (E_RNA)
where:
Base-Base interactions energy: -17.538
where: short stacking energy: -14.897
Base-Backbone interact. energy: -0.174
local terms energy: -39.495365
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -6.633
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -176.346102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.346102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.346102 (E_RNA)
where:
Base-Base interactions energy: -117.449
where: short stacking energy: -46.225
Base-Backbone interact. energy: 0.829
local terms energy: -59.725716
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -6.757
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: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -176.996479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.996479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.996479 (E_RNA)
where:
Base-Base interactions energy: -114.172
where: short stacking energy: -37.723
Base-Backbone interact. energy: -0.154
local terms energy: -62.669606
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -13.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -172.818262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.818262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.818262 (E_RNA)
where:
Base-Base interactions energy: -114.614
where: short stacking energy: -42.831
Base-Backbone interact. energy: -0.220
local terms energy: -57.984561
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -13.124
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: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -133.413995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.413995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.413995 (E_RNA)
where:
Base-Base interactions energy: -86.057
where: short stacking energy: -29.925
Base-Backbone interact. energy: -0.171
local terms energy: -47.186390
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -3.704
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: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -78.177766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.177766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.177766 (E_RNA)
where:
Base-Base interactions energy: -31.552
where: short stacking energy: -24.374
Base-Backbone interact. energy: -0.347
local terms energy: -46.277997
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -10.048
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -4.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -74.685062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.685062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.685062 (E_RNA)
where:
Base-Base interactions energy: -27.515
where: short stacking energy: -21.310
Base-Backbone interact. energy: -0.213
local terms energy: -46.956579
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -3.338
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: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -76.023012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.023012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.023012 (E_RNA)
where:
Base-Base interactions energy: -31.945
where: short stacking energy: -25.997
Base-Backbone interact. energy: -0.100
local terms energy: -43.977897
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -10.342
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -4.441
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -78.994643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.994643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.994643 (E_RNA)
where:
Base-Base interactions energy: -35.045
where: short stacking energy: -22.786
Base-Backbone interact. energy: -1.242
local terms energy: -42.708255
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -65.491899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.491899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.491899 (E_RNA)
where:
Base-Base interactions energy: -27.216
where: short stacking energy: -3.927
Base-Backbone interact. energy: -0.383
local terms energy: -37.893582
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -8.004
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: 2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -60.217652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.217652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.217652 (E_RNA)
where:
Base-Base interactions energy: -26.678
where: short stacking energy: -9.654
Base-Backbone interact. energy: -0.175
local terms energy: -33.365121
where:
bonds (distance) C4'-P energy: -6.938
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -6.513
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: 2.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -178.008508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.008508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.008508 (E_RNA)
where:
Base-Base interactions energy: -121.804
where: short stacking energy: -38.572
Base-Backbone interact. energy: -0.134
local terms energy: -56.070358
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -177.934909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.934909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.934909 (E_RNA)
where:
Base-Base interactions energy: -113.506
where: short stacking energy: -52.475
Base-Backbone interact. energy: -0.001
local terms energy: -64.428345
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -17.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -135.836304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.836304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.836304 (E_RNA)
where:
Base-Base interactions energy: -81.957
where: short stacking energy: -27.279
Base-Backbone interact. energy: -0.471
local terms energy: -53.408288
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -170.135058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.135058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.135058 (E_RNA)
where:
Base-Base interactions energy: -112.194
where: short stacking energy: -46.071
Base-Backbone interact. energy: -0.012
local terms energy: -57.929593
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -15.799
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: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -80.303623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.303623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.303623 (E_RNA)
where:
Base-Base interactions energy: -42.428
where: short stacking energy: -22.089
Base-Backbone interact. energy: -0.061
local terms energy: -37.815081
where:
bonds (distance) C4'-P energy: -8.568
bonds (distance) P-C4' energy: -9.276
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -3.807
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -92.770584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.770584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.770584 (E_RNA)
where:
Base-Base interactions energy: -45.459
where: short stacking energy: -20.778
Base-Backbone interact. energy: -0.134
local terms energy: -47.177608
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -8.265
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -89.219503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.219503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.219503 (E_RNA)
where:
Base-Base interactions energy: -37.513
where: short stacking energy: -14.827
Base-Backbone interact. energy: -0.006
local terms energy: -51.701237
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -72.490195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.490195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.490195 (E_RNA)
where:
Base-Base interactions energy: -31.489
where: short stacking energy: -15.364
Base-Backbone interact. energy: -0.244
local terms energy: -40.758137
where:
bonds (distance) C4'-P energy: -9.613
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -8.559
flat angles P-C4'-P energy: -3.347
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: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -67.245451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.245451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.245451 (E_RNA)
where:
Base-Base interactions energy: -18.004
where: short stacking energy: -17.677
Base-Backbone interact. energy: -0.130
local terms energy: -49.110930
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -6.352
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -69.122795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.122795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.122795 (E_RNA)
where:
Base-Base interactions energy: -30.826
where: short stacking energy: -18.804
Base-Backbone interact. energy: -0.014
local terms energy: -38.283055
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -8.724
flat angles P-C4'-P energy: -4.885
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: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -179.301878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.301878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.301878 (E_RNA)
where:
Base-Base interactions energy: -127.301
where: short stacking energy: -44.500
Base-Backbone interact. energy: 0.017
local terms energy: -52.018788
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -9.701
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: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -181.025650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.025650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.025650 (E_RNA)
where:
Base-Base interactions energy: -115.361
where: short stacking energy: -48.141
Base-Backbone interact. energy: -0.041
local terms energy: -65.623639
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -168.440895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.440895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.440895 (E_RNA)
where:
Base-Base interactions energy: -112.433
where: short stacking energy: -42.270
Base-Backbone interact. energy: -0.043
local terms energy: -55.964926
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -8.097
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: 4, replica: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -167.041627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.041627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.041627 (E_RNA)
where:
Base-Base interactions energy: -108.872
where: short stacking energy: -41.678
Base-Backbone interact. energy: -0.134
local terms energy: -58.035342
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -7.083
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: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -75.742971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.742971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.742971 (E_RNA)
where:
Base-Base interactions energy: -34.786
where: short stacking energy: -21.104
Base-Backbone interact. energy: -0.122
local terms energy: -40.834964
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -5.175
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: 341
Temperature: 1.150000
Total energy: -71.634470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.634470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.634470 (E_RNA)
where:
Base-Base interactions energy: -35.823
where: short stacking energy: -19.562
Base-Backbone interact. energy: -0.009
local terms energy: -35.802382
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -6.355
flat angles P-C4'-P energy: -3.208
tors. eta vs tors. theta energy: -2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -78.266676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.266676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.266676 (E_RNA)
where:
Base-Base interactions energy: -28.665
where: short stacking energy: -9.444
Base-Backbone interact. energy: -0.067
local terms energy: -49.535106
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -69.307749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.307749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.307749 (E_RNA)
where:
Base-Base interactions energy: -31.040
where: short stacking energy: -14.843
Base-Backbone interact. energy: -1.713
local terms energy: -36.554927
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -2.483
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -54.427257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.427257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.427257 (E_RNA)
where:
Base-Base interactions energy: -13.879
where: short stacking energy: -13.879
Base-Backbone interact. energy: -0.455
local terms energy: -40.093161
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -4.688
tors. eta vs tors. theta energy: -0.592
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: 10, replica: 2
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -64.904329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.904329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.904329 (E_RNA)
where:
Base-Base interactions energy: -26.945
where: short stacking energy: -21.684
Base-Backbone interact. energy: -0.055
local terms energy: -37.904325
where:
bonds (distance) C4'-P energy: -7.156
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -4.838
tors. eta vs tors. theta energy: -3.797
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: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -178.595102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.595102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.595102 (E_RNA)
where:
Base-Base interactions energy: -116.771
where: short stacking energy: -48.719
Base-Backbone interact. energy: -0.221
local terms energy: -61.603535
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -15.347
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: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -180.124424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.124424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.124424 (E_RNA)
where:
Base-Base interactions energy: -113.325
where: short stacking energy: -46.387
Base-Backbone interact. energy: -0.017
local terms energy: -66.782873
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -17.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -178.489682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.489682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.489682 (E_RNA)
where:
Base-Base interactions energy: -115.088
where: short stacking energy: -41.026
Base-Backbone interact. energy: -0.087
local terms energy: -63.314636
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -172.588164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.588164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.588164 (E_RNA)
where:
Base-Base interactions energy: -109.444
where: short stacking energy: -44.238
Base-Backbone interact. energy: -0.062
local terms energy: -63.081934
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -7.260
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: 5, replica: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -112.625680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.625680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.625680 (E_RNA)
where:
Base-Base interactions energy: -66.146
where: short stacking energy: -30.338
Base-Backbone interact. energy: -0.067
local terms energy: -46.412994
where:
bonds (distance) C4'-P energy: -8.855
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -10.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -69.037342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.037342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.037342 (E_RNA)
where:
Base-Base interactions energy: -30.019
where: short stacking energy: -17.754
Base-Backbone interact. energy: -0.133
local terms energy: -38.885582
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -4.201
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: 7, replica: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -95.606267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.606267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.606267 (E_RNA)
where:
Base-Base interactions energy: -47.657
where: short stacking energy: -17.182
Base-Backbone interact. energy: -1.752
local terms energy: -46.197405
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -4.444
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -63.051928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.051928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.051928 (E_RNA)
where:
Base-Base interactions energy: -25.478
where: short stacking energy: -12.117
Base-Backbone interact. energy: 0.718
local terms energy: -38.292517
where:
bonds (distance) C4'-P energy: -8.283
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -3.850
tors. eta vs tors. theta energy: 0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -55.421468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.421468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.421468 (E_RNA)
where:
Base-Base interactions energy: -18.644
where: short stacking energy: -7.969
Base-Backbone interact. energy: -0.773
local terms energy: -36.004610
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -1.895
tors. eta vs tors. theta energy: 1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -62.264293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.264293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.264293 (E_RNA)
where:
Base-Base interactions energy: -20.225
where: short stacking energy: -20.225
Base-Backbone interact. energy: 0.011
local terms energy: -42.049706
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -2.007
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -184.794146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.794146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.794146 (E_RNA)
where:
Base-Base interactions energy: -117.870
where: short stacking energy: -49.185
Base-Backbone interact. energy: -0.005
local terms energy: -66.919675
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -15.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -174.026304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.026304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.026304 (E_RNA)
where:
Base-Base interactions energy: -111.246
where: short stacking energy: -43.950
Base-Backbone interact. energy: -0.153
local terms energy: -62.627629
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -10.661
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: 3, replica: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -185.213966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.213966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.213966 (E_RNA)
where:
Base-Base interactions energy: -118.036
where: short stacking energy: -49.331
Base-Backbone interact. energy: -0.008
local terms energy: -67.170093
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -169.499983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.499983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.499983 (E_RNA)
where:
Base-Base interactions energy: -109.794
where: short stacking energy: -39.220
Base-Backbone interact. energy: -0.165
local terms energy: -59.541790
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -10.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -95.876544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.876544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.876544 (E_RNA)
where:
Base-Base interactions energy: -50.414
where: short stacking energy: -20.135
Base-Backbone interact. energy: -0.126
local terms energy: -45.335701
where:
bonds (distance) C4'-P energy: -4.859
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -7.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -90.597887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.597887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.597887 (E_RNA)
where:
Base-Base interactions energy: -57.177
where: short stacking energy: -27.189
Base-Backbone interact. energy: -0.087
local terms energy: -33.333784
where:
bonds (distance) C4'-P energy: -7.120
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: 1.315
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: 7, replica: 5
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -73.935337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.935337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.935337 (E_RNA)
where:
Base-Base interactions energy: -36.385
where: short stacking energy: -22.784
Base-Backbone interact. energy: -0.136
local terms energy: -37.414195
where:
bonds (distance) C4'-P energy: -8.651
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -9.322
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -2.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -73.469357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.469357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.469357 (E_RNA)
where:
Base-Base interactions energy: -34.928
where: short stacking energy: -13.679
Base-Backbone interact. energy: -0.038
local terms energy: -38.503454
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -4.632
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: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -64.648724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.648724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.648724 (E_RNA)
where:
Base-Base interactions energy: -21.563
where: short stacking energy: -15.969
Base-Backbone interact. energy: -2.058
local terms energy: -41.027728
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -0.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -72.200867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.200867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.200867 (E_RNA)
where:
Base-Base interactions energy: -34.931
where: short stacking energy: -16.956
Base-Backbone interact. energy: -0.403
local terms energy: -36.866936
where:
bonds (distance) C4'-P energy: -9.902
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -4.373
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: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -183.031996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.031996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.031996 (E_RNA)
where:
Base-Base interactions energy: -124.741
where: short stacking energy: -48.684
Base-Backbone interact. energy: -0.010
local terms energy: -58.281145
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -9.476
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -16.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -177.110356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.110356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.110356 (E_RNA)
where:
Base-Base interactions energy: -114.558
where: short stacking energy: -41.287
Base-Backbone interact. energy: -0.096
local terms energy: -62.456672
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -7.165
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: 3, replica: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -174.287376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.287376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.287376 (E_RNA)
where:
Base-Base interactions energy: -115.193
where: short stacking energy: -43.118
Base-Backbone interact. energy: -0.006
local terms energy: -59.088240
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -10.014
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -9.917
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: 4, replica: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -162.885338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.885338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.885338 (E_RNA)
where:
Base-Base interactions energy: -108.571
where: short stacking energy: -38.380
Base-Backbone interact. energy: -0.259
local terms energy: -54.055680
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -9.284
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -79.850043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.850043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.850043 (E_RNA)
where:
Base-Base interactions energy: -41.600
where: short stacking energy: -8.860
Base-Backbone interact. energy: -0.103
local terms energy: -38.146793
where:
bonds (distance) C4'-P energy: -8.837
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -5.871
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: 6, replica: 9
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -85.431349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.431349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.431349 (E_RNA)
where:
Base-Base interactions energy: -40.762
where: short stacking energy: -25.442
Base-Backbone interact. energy: -0.123
local terms energy: -44.546520
where:
bonds (distance) C4'-P energy: -11.268
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -7.576
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -2.973
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: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -65.667730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.667730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.667730 (E_RNA)
where:
Base-Base interactions energy: -25.463
where: short stacking energy: -17.241
Base-Backbone interact. energy: -0.102
local terms energy: -40.102891
where:
bonds (distance) C4'-P energy: -3.965
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: 0.265
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: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -66.914417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.914417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.914417 (E_RNA)
where:
Base-Base interactions energy: -25.601
where: short stacking energy: -3.106
Base-Backbone interact. energy: -0.250
local terms energy: -41.063121
where:
bonds (distance) C4'-P energy: -8.742
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -62.150284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.150284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.150284 (E_RNA)
where:
Base-Base interactions energy: -17.896
where: short stacking energy: -12.084
Base-Backbone interact. energy: -0.834
local terms energy: -43.421170
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -7.687
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: 10, replica: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -63.120643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.120643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.120643 (E_RNA)
where:
Base-Base interactions energy: -28.726
where: short stacking energy: -9.713
Base-Backbone interact. energy: -0.233
local terms energy: -34.161524
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -9.218
flat angles C4'-P-C4' energy: -7.608
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: 1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -187.255950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.255950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.255950 (E_RNA)
where:
Base-Base interactions energy: -120.073
where: short stacking energy: -50.894
Base-Backbone interact. energy: -0.029
local terms energy: -67.154091
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -17.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -183.993372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.993372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.993372 (E_RNA)
where:
Base-Base interactions energy: -118.270
where: short stacking energy: -47.455
Base-Backbone interact. energy: -0.003
local terms energy: -65.720359
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -15.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -173.219102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.219102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.219102 (E_RNA)
where:
Base-Base interactions energy: -116.740
where: short stacking energy: -41.878
Base-Backbone interact. energy: -0.001
local terms energy: -56.477923
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -3.986
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: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -170.089437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.089437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.089437 (E_RNA)
where:
Base-Base interactions energy: -109.073
where: short stacking energy: -45.085
Base-Backbone interact. energy: -0.016
local terms energy: -61.000195
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -12.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -92.660450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.660450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.660450 (E_RNA)
where:
Base-Base interactions energy: -41.920
where: short stacking energy: -17.797
Base-Backbone interact. energy: -0.316
local terms energy: -50.425394
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -8.976
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: 6, replica: 9
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -77.049083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.049083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.049083 (E_RNA)
where:
Base-Base interactions energy: -32.458
where: short stacking energy: -19.118
Base-Backbone interact. energy: -0.098
local terms energy: -44.492235
where:
bonds (distance) C4'-P energy: -8.647
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -1.532
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: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -69.757254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.757254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.757254 (E_RNA)
where:
Base-Base interactions energy: -32.710
where: short stacking energy: -10.169
Base-Backbone interact. energy: -1.019
local terms energy: -36.028454
where:
bonds (distance) C4'-P energy: -6.743
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -7.456
flat angles P-C4'-P energy: -10.463
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: 3
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -66.869682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.869682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.869682 (E_RNA)
where:
Base-Base interactions energy: -19.041
where: short stacking energy: -17.857
Base-Backbone interact. energy: -0.087
local terms energy: -47.741138
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -56.041044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.041044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.041044 (E_RNA)
where:
Base-Base interactions energy: -26.161
where: short stacking energy: -13.279
Base-Backbone interact. energy: -0.607
local terms energy: -29.273427
where:
bonds (distance) C4'-P energy: -7.988
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -6.657
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: 1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -61.607251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.607251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.607251 (E_RNA)
where:
Base-Base interactions energy: -24.925
where: short stacking energy: -18.911
Base-Backbone interact. energy: 2.662
local terms energy: -39.343957
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -8.792
flat angles P-C4'-P energy: -2.108
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -187.261465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.261465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.261465 (E_RNA)
where:
Base-Base interactions energy: -120.940
where: short stacking energy: -53.064
Base-Backbone interact. energy: -0.003
local terms energy: -66.317566
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -10.092
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: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -179.592802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.592802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.592802 (E_RNA)
where:
Base-Base interactions energy: -117.133
where: short stacking energy: -45.904
Base-Backbone interact. energy: -0.010
local terms energy: -62.450763
where:
bonds (distance) C4'-P energy: -9.820
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -173.233569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.233569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.233569 (E_RNA)
where:
Base-Base interactions energy: -116.095
where: short stacking energy: -41.497
Base-Backbone interact. energy: -0.066
local terms energy: -57.072780
where:
bonds (distance) C4'-P energy: -10.167
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -174.133186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.133186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.133186 (E_RNA)
where:
Base-Base interactions energy: -116.873
where: short stacking energy: -42.509
Base-Backbone interact. energy: -0.102
local terms energy: -57.157505
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -12.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -126.604846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.604846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.604846 (E_RNA)
where:
Base-Base interactions energy: -75.852
where: short stacking energy: -31.060
Base-Backbone interact. energy: -0.415
local terms energy: -50.337168
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -4.564
tors. eta vs tors. theta energy: -10.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -83.915622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.915622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.915622 (E_RNA)
where:
Base-Base interactions energy: -40.472
where: short stacking energy: -15.579
Base-Backbone interact. energy: 0.848
local terms energy: -44.291652
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -9.610
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: 7, replica: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -66.005464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.005464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.005464 (E_RNA)
where:
Base-Base interactions energy: -23.850
where: short stacking energy: -19.136
Base-Backbone interact. energy: -0.086
local terms energy: -42.069788
where:
bonds (distance) C4'-P energy: -7.931
bonds (distance) P-C4' energy: -9.840
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -63.939120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.939120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.939120 (E_RNA)
where:
Base-Base interactions energy: -17.942
where: short stacking energy: -16.212
Base-Backbone interact. energy: -0.060
local terms energy: -45.936915
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -5.270
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: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -68.419646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.419646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.419646 (E_RNA)
where:
Base-Base interactions energy: -33.427
where: short stacking energy: -12.967
Base-Backbone interact. energy: -0.358
local terms energy: -34.633997
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -8.974
flat angles C4'-P-C4' energy: -8.354
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: 2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -60.321525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.321525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.321525 (E_RNA)
where:
Base-Base interactions energy: -19.505
where: short stacking energy: -10.450
Base-Backbone interact. energy: -0.076
local terms energy: -40.740603
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -7.581
flat angles P-C4'-P energy: -9.612
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: 1, replica: 8
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -186.311638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.311638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.311638 (E_RNA)
where:
Base-Base interactions energy: -119.293
where: short stacking energy: -49.821
Base-Backbone interact. energy: -0.010
local terms energy: -67.009395
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -10.509
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: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -179.552263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.552263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.552263 (E_RNA)
where:
Base-Base interactions energy: -116.080
where: short stacking energy: -43.005
Base-Backbone interact. energy: -0.002
local terms energy: -63.470638
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -171.373705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.373705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.373705 (E_RNA)
where:
Base-Base interactions energy: -113.052
where: short stacking energy: -42.590
Base-Backbone interact. energy: -0.066
local terms energy: -58.256285
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -8.543
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -14.768
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: 6
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -171.444533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.444533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.444533 (E_RNA)
where:
Base-Base interactions energy: -112.576
where: short stacking energy: -47.428
Base-Backbone interact. energy: 0.671
local terms energy: -59.538996
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -3.220
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -96.111579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.111579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.111579 (E_RNA)
where:
Base-Base interactions energy: -51.422
where: short stacking energy: -11.924
Base-Backbone interact. energy: 1.433
local terms energy: -46.122235
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -66.288132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.288132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.288132 (E_RNA)
where:
Base-Base interactions energy: -19.152
where: short stacking energy: -19.152
Base-Backbone interact. energy: -0.080
local terms energy: -47.056063
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -65.092970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.092970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.092970 (E_RNA)
where:
Base-Base interactions energy: -21.889
where: short stacking energy: -20.897
Base-Backbone interact. energy: -0.070
local terms energy: -43.134247
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -6.641
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: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -61.208509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.208509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.208509 (E_RNA)
where:
Base-Base interactions energy: -20.760
where: short stacking energy: -8.651
Base-Backbone interact. energy: -0.701
local terms energy: -39.746917
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -8.659
flat angles P-C4'-P energy: -7.067
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: 9, replica: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -64.232226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.232226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.232226 (E_RNA)
where:
Base-Base interactions energy: -19.660
where: short stacking energy: -14.774
Base-Backbone interact. energy: -0.650
local terms energy: -43.922713
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: 1.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -65.479779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.479779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.479779 (E_RNA)
where:
Base-Base interactions energy: -27.008
where: short stacking energy: -13.882
Base-Backbone interact. energy: -0.125
local terms energy: -38.347417
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -6.249
flat angles P-C4'-P energy: -4.120
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: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -178.625634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.625634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.625634 (E_RNA)
where:
Base-Base interactions energy: -113.593
where: short stacking energy: -48.739
Base-Backbone interact. energy: -0.024
local terms energy: -65.009225
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -9.494
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: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -172.341926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.341926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.341926 (E_RNA)
where:
Base-Base interactions energy: -110.528
where: short stacking energy: -42.057
Base-Backbone interact. energy: -0.004
local terms energy: -61.809621
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -175.936211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.936211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.936211 (E_RNA)
where:
Base-Base interactions energy: -115.877
where: short stacking energy: -43.863
Base-Backbone interact. energy: -0.066
local terms energy: -59.993304
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -9.038
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: 4, replica: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -163.174309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.174309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.174309 (E_RNA)
where:
Base-Base interactions energy: -99.368
where: short stacking energy: -40.651
Base-Backbone interact. energy: -0.000
local terms energy: -63.806026
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -74.798550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.798550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.798550 (E_RNA)
where:
Base-Base interactions energy: -29.415
where: short stacking energy: -20.970
Base-Backbone interact. energy: -0.120
local terms energy: -45.263398
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -6.779
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -6.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -84.973206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.973206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.973206 (E_RNA)
where:
Base-Base interactions energy: -44.567
where: short stacking energy: -18.292
Base-Backbone interact. energy: 1.536
local terms energy: -41.941449
where:
bonds (distance) C4'-P energy: -8.730
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -8.225
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: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -65.519682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.519682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.519682 (E_RNA)
where:
Base-Base interactions energy: -21.574
where: short stacking energy: -21.163
Base-Backbone interact. energy: -0.209
local terms energy: -43.737018
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -67.201764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.201764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.201764 (E_RNA)
where:
Base-Base interactions energy: -19.638
where: short stacking energy: -9.132
Base-Backbone interact. energy: -0.099
local terms energy: -47.465473
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -8.266
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: 9, replica: 2
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -66.696199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.696199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.696199 (E_RNA)
where:
Base-Base interactions energy: -30.610
where: short stacking energy: -21.440
Base-Backbone interact. energy: 0.298
local terms energy: -36.383857
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -6.555
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -4.126
tors. eta vs tors. theta energy: -1.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -58.952075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.952075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.952075 (E_RNA)
where:
Base-Base interactions energy: -26.937
where: short stacking energy: -10.921
Base-Backbone interact. energy: 0.123
local terms energy: -32.138653
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -9.017
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -3.735
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: 1, replica: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -179.504210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.504210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.504210 (E_RNA)
where:
Base-Base interactions energy: -113.399
where: short stacking energy: -46.839
Base-Backbone interact. energy: 0.627
local terms energy: -66.731868
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -9.007
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: 6
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -173.228688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.228688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.228688 (E_RNA)
where:
Base-Base interactions energy: -121.095
where: short stacking energy: -43.195
Base-Backbone interact. energy: -0.187
local terms energy: -51.945908
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -173.384334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.384334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.384334 (E_RNA)
where:
Base-Base interactions energy: -117.036
where: short stacking energy: -37.785
Base-Backbone interact. energy: -0.040
local terms energy: -56.308423
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -176.369098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.369098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.369098 (E_RNA)
where:
Base-Base interactions energy: -114.912
where: short stacking energy: -45.801
Base-Backbone interact. energy: -0.004
local terms energy: -61.452144
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -8.462
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: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -70.613508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.613508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.613508 (E_RNA)
where:
Base-Base interactions energy: -30.628
where: short stacking energy: -15.485
Base-Backbone interact. energy: -0.515
local terms energy: -39.471099
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -5.063
tors. eta vs tors. theta energy: 2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -77.675347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.675347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.675347 (E_RNA)
where:
Base-Base interactions energy: -35.118
where: short stacking energy: -12.521
Base-Backbone interact. energy: -0.337
local terms energy: -42.219674
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -12.159
flat angles P-C4'-P energy: -5.901
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: 7, replica: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -78.518744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.518744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.518744 (E_RNA)
where:
Base-Base interactions energy: -31.352
where: short stacking energy: -13.442
Base-Backbone interact. energy: -0.631
local terms energy: -46.535861
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -10.025
flat angles P-C4'-P energy: -10.702
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: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -64.088702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.088702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.088702 (E_RNA)
where:
Base-Base interactions energy: -20.715
where: short stacking energy: -19.070
Base-Backbone interact. energy: -0.159
local terms energy: -43.215198
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -9.059
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -54.327326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.327326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.327326 (E_RNA)
where:
Base-Base interactions energy: -12.296
where: short stacking energy: -8.211
Base-Backbone interact. energy: -0.164
local terms energy: -41.867961
where:
bonds (distance) C4'-P energy: -5.617
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -3.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -53.385106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -53.385106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -53.385106 (E_RNA)
where:
Base-Base interactions energy: -13.351
where: short stacking energy: -3.515
Base-Backbone interact. energy: -0.576
local terms energy: -39.458960
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: 5.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -179.147550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.147550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.147550 (E_RNA)
where:
Base-Base interactions energy: -120.364
where: short stacking energy: -42.923
Base-Backbone interact. energy: -0.005
local terms energy: -58.778700
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -178.201088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.201088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.201088 (E_RNA)
where:
Base-Base interactions energy: -115.938
where: short stacking energy: -48.474
Base-Backbone interact. energy: -0.007
local terms energy: -62.255683
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -9.410
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -16.436
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: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -172.874140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.874140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.874140 (E_RNA)
where:
Base-Base interactions energy: -111.895
where: short stacking energy: -40.970
Base-Backbone interact. energy: -0.110
local terms energy: -60.869277
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -11.298
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -6.823
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: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -174.041409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.041409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.041409 (E_RNA)
where:
Base-Base interactions energy: -115.867
where: short stacking energy: -37.830
Base-Backbone interact. energy: -0.112
local terms energy: -58.062707
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -6.712
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: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -82.373126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.373126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.373126 (E_RNA)
where:
Base-Base interactions energy: -32.776
where: short stacking energy: -13.361
Base-Backbone interact. energy: 0.247
local terms energy: -49.844341
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -3.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -79.845280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.845280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.845280 (E_RNA)
where:
Base-Base interactions energy: -33.118
where: short stacking energy: -33.118
Base-Backbone interact. energy: -0.003
local terms energy: -46.723758
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -8.397
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -67.663540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.663540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.663540 (E_RNA)
where:
Base-Base interactions energy: -25.340
where: short stacking energy: -25.095
Base-Backbone interact. energy: 0.472
local terms energy: -42.795306
where:
bonds (distance) C4'-P energy: -9.235
bonds (distance) P-C4' energy: -7.830
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -7.327
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: 8, replica: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -75.525992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.525992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.525992 (E_RNA)
where:
Base-Base interactions energy: -28.157
where: short stacking energy: -20.876
Base-Backbone interact. energy: 1.236
local terms energy: -48.605130
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -62.566156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.566156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.566156 (E_RNA)
where:
Base-Base interactions energy: -25.656
where: short stacking energy: -6.638
Base-Backbone interact. energy: -0.104
local terms energy: -36.806325
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: 3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -63.120012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.120012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.120012 (E_RNA)
where:
Base-Base interactions energy: -20.604
where: short stacking energy: -5.420
Base-Backbone interact. energy: -0.053
local terms energy: -42.462924
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -7.682
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -176.504773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.504773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.504773 (E_RNA)
where:
Base-Base interactions energy: -110.618
where: short stacking energy: -47.011
Base-Backbone interact. energy: -0.001
local terms energy: -65.885038
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -17.830
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: 2, replica: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -177.241370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.241370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.241370 (E_RNA)
where:
Base-Base interactions energy: -120.805
where: short stacking energy: -40.994
Base-Backbone interact. energy: -0.003
local terms energy: -56.433391
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -175.085060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.085060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.085060 (E_RNA)
where:
Base-Base interactions energy: -116.746
where: short stacking energy: -48.666
Base-Backbone interact. energy: 0.995
local terms energy: -59.334055
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -14.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -172.379139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.379139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.379139 (E_RNA)
where:
Base-Base interactions energy: -115.828
where: short stacking energy: -44.585
Base-Backbone interact. energy: -0.098
local terms energy: -56.453497
where:
bonds (distance) C4'-P energy: -9.128
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -4.542
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -96.102445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.102445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.102445 (E_RNA)
where:
Base-Base interactions energy: -43.998
where: short stacking energy: -24.407
Base-Backbone interact. energy: -0.546
local terms energy: -51.557924
where:
bonds (distance) C4'-P energy: -10.585
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -4.733
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: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -70.619385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.619385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.619385 (E_RNA)
where:
Base-Base interactions energy: -26.411
where: short stacking energy: -26.312
Base-Backbone interact. energy: -0.130
local terms energy: -44.078074
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -10.119
flat angles C4'-P-C4' energy: -9.652
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -7.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -85.231841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.231841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.231841 (E_RNA)
where:
Base-Base interactions energy: -43.529
where: short stacking energy: -23.579
Base-Backbone interact. energy: -0.016
local terms energy: -41.686992
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -6.980
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -79.235451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.235451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.235451 (E_RNA)
where:
Base-Base interactions energy: -40.371
where: short stacking energy: -20.541
Base-Backbone interact. energy: 0.110
local terms energy: -38.975277
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: 0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -57.041606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.041606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.041606 (E_RNA)
where:
Base-Base interactions energy: -19.217
where: short stacking energy: -13.002
Base-Backbone interact. energy: -0.229
local terms energy: -37.596048
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -9.133
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: -2.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -58.334754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.334754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.334754 (E_RNA)
where:
Base-Base interactions energy: -14.735
where: short stacking energy: -12.891
Base-Backbone interact. energy: -0.008
local terms energy: -43.591752
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -3.542
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: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -182.447590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.447590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.447590 (E_RNA)
where:
Base-Base interactions energy: -117.494
where: short stacking energy: -50.090
Base-Backbone interact. energy: -0.238
local terms energy: -64.715534
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -10.283
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -179.707018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.707018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.707018 (E_RNA)
where:
Base-Base interactions energy: -116.370
where: short stacking energy: -51.874
Base-Backbone interact. energy: -0.023
local terms energy: -63.313900
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -182.900120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.900120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.900120 (E_RNA)
where:
Base-Base interactions energy: -124.925
where: short stacking energy: -43.250
Base-Backbone interact. energy: -0.120
local terms energy: -57.855533
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -13.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -172.773931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.773931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.773931 (E_RNA)
where:
Base-Base interactions energy: -114.695
where: short stacking energy: -36.273
Base-Backbone interact. energy: -0.129
local terms energy: -57.949472
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -6.419
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: 5, replica: 9
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -78.978548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.978548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.978548 (E_RNA)
where:
Base-Base interactions energy: -30.189
where: short stacking energy: -23.345
Base-Backbone interact. energy: -0.215
local terms energy: -48.574477
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -9.884
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: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -92.416122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.416122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.416122 (E_RNA)
where:
Base-Base interactions energy: -46.640
where: short stacking energy: -35.855
Base-Backbone interact. energy: -0.035
local terms energy: -45.741232
where:
bonds (distance) C4'-P energy: -8.130
bonds (distance) P-C4' energy: -9.851
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -75.568437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.568437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.568437 (E_RNA)
where:
Base-Base interactions energy: -35.059
where: short stacking energy: -23.335
Base-Backbone interact. energy: -0.188
local terms energy: -40.321530
where:
bonds (distance) C4'-P energy: -7.727
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -6.674
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -4.144
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: 8, replica: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -63.654912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.654912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.654912 (E_RNA)
where:
Base-Base interactions energy: -25.458
where: short stacking energy: -16.432
Base-Backbone interact. energy: -0.093
local terms energy: -38.104157
where:
bonds (distance) C4'-P energy: -6.871
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -7.647
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: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -63.944657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.944657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.944657 (E_RNA)
where:
Base-Base interactions energy: -28.727
where: short stacking energy: -14.783
Base-Backbone interact. energy: -0.308
local terms energy: -34.909915
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -9.717
flat angles C4'-P-C4' energy: -9.003
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: 0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -73.931875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.931875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.931875 (E_RNA)
where:
Base-Base interactions energy: -36.197
where: short stacking energy: -12.831
Base-Backbone interact. energy: -0.102
local terms energy: -37.632859
where:
bonds (distance) C4'-P energy: -9.426
bonds (distance) P-C4' energy: -10.432
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -4.800
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: 1, replica: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -181.339385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.339385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.339385 (E_RNA)
where:
Base-Base interactions energy: -118.253
where: short stacking energy: -46.390
Base-Backbone interact. energy: -0.811
local terms energy: -62.275907
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -15.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -181.518745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.518745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.518745 (E_RNA)
where:
Base-Base interactions energy: -119.730
where: short stacking energy: -40.539
Base-Backbone interact. energy: -0.430
local terms energy: -61.358910
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -173.235018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.235018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.235018 (E_RNA)
where:
Base-Base interactions energy: -112.884
where: short stacking energy: -44.171
Base-Backbone interact. energy: 0.116
local terms energy: -60.467567
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -11.020
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -176.508299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.508299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.508299 (E_RNA)
where:
Base-Base interactions energy: -108.623
where: short stacking energy: -46.097
Base-Backbone interact. energy: -0.003
local terms energy: -67.882518
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -63.956891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.956891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.956891 (E_RNA)
where:
Base-Base interactions energy: -23.229
where: short stacking energy: -23.229
Base-Backbone interact. energy: -0.194
local terms energy: -40.533545
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -6.224
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: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -68.862261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.862261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.862261 (E_RNA)
where:
Base-Base interactions energy: -21.106
where: short stacking energy: -21.106
Base-Backbone interact. energy: 0.177
local terms energy: -47.932877
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -78.883088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.883088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.883088 (E_RNA)
where:
Base-Base interactions energy: -37.487
where: short stacking energy: -22.369
Base-Backbone interact. energy: -0.757
local terms energy: -40.638938
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -0.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -68.574962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.574962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.574962 (E_RNA)
where:
Base-Base interactions energy: -25.624
where: short stacking energy: -17.812
Base-Backbone interact. energy: -0.067
local terms energy: -42.883751
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -71.238292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.238292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.238292 (E_RNA)
where:
Base-Base interactions energy: -25.173
where: short stacking energy: -13.047
Base-Backbone interact. energy: 0.427
local terms energy: -46.492475
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -9.028
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -1.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -55.483881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.483881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.483881 (E_RNA)
where:
Base-Base interactions energy: -25.906
where: short stacking energy: -11.003
Base-Backbone interact. energy: -0.251
local terms energy: -29.327145
where:
bonds (distance) C4'-P energy: -8.371
bonds (distance) P-C4' energy: -5.541
flat angles C4'-P-C4' energy: -6.940
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -3.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -185.947071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.947071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.947071 (E_RNA)
where:
Base-Base interactions energy: -119.069
where: short stacking energy: -49.574
Base-Backbone interact. energy: -0.075
local terms energy: -66.802683
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -11.722
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: 2, replica: 6
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -180.817148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.817148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.817148 (E_RNA)
where:
Base-Base interactions energy: -118.150
where: short stacking energy: -51.217
Base-Backbone interact. energy: -0.020
local terms energy: -62.647000
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -16.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -173.340122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.340122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.340122 (E_RNA)
where:
Base-Base interactions energy: -115.218
where: short stacking energy: -44.333
Base-Backbone interact. energy: -0.371
local terms energy: -57.751403
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -5.532
tors. eta vs tors. theta energy: -10.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -166.231098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.231098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.231098 (E_RNA)
where:
Base-Base interactions energy: -107.794
where: short stacking energy: -45.478
Base-Backbone interact. energy: -0.007
local terms energy: -58.430056
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -17.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -70.636286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.636286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.636286 (E_RNA)
where:
Base-Base interactions energy: -31.803
where: short stacking energy: -23.689
Base-Backbone interact. energy: -2.440
local terms energy: -36.393214
where:
bonds (distance) C4'-P energy: -9.330
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -3.048
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: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -79.696202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.696202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.696202 (E_RNA)
where:
Base-Base interactions energy: -33.217
where: short stacking energy: -16.940
Base-Backbone interact. energy: -0.723
local terms energy: -45.755382
where:
bonds (distance) C4'-P energy: -10.010
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -4.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -78.373584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.373584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.373584 (E_RNA)
where:
Base-Base interactions energy: -35.256
where: short stacking energy: -26.080
Base-Backbone interact. energy: 0.131
local terms energy: -43.248389
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -7.522
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: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -71.494606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.494606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.494606 (E_RNA)
where:
Base-Base interactions energy: -42.862
where: short stacking energy: -23.908
Base-Backbone interact. energy: -0.028
local terms energy: -28.604823
where:
bonds (distance) C4'-P energy: -7.819
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -0.301
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: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -60.883875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.883875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.883875 (E_RNA)
where:
Base-Base interactions energy: -27.209
where: short stacking energy: -11.380
Base-Backbone interact. energy: -0.305
local terms energy: -33.369357
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -7.943
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: 3.925
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: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -59.006997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.006997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.006997 (E_RNA)
where:
Base-Base interactions energy: -12.679
where: short stacking energy: -12.679
Base-Backbone interact. energy: -0.209
local terms energy: -46.119942
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -1.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -186.383561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.383561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.383561 (E_RNA)
where:
Base-Base interactions energy: -134.016
where: short stacking energy: -37.361
Base-Backbone interact. energy: 0.382
local terms energy: -52.749934
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -8.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -177.586531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.586531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.586531 (E_RNA)
where:
Base-Base interactions energy: -115.520
where: short stacking energy: -49.004
Base-Backbone interact. energy: -1.183
local terms energy: -60.883486
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -14.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -175.114083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.114083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.114083 (E_RNA)
where:
Base-Base interactions energy: -111.088
where: short stacking energy: -46.554
Base-Backbone interact. energy: -0.040
local terms energy: -63.985699
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -169.445004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.445004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.445004 (E_RNA)
where:
Base-Base interactions energy: -108.636
where: short stacking energy: -44.729
Base-Backbone interact. energy: -0.008
local terms energy: -60.800747
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -7.533
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: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -78.988210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.988210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.988210 (E_RNA)
where:
Base-Base interactions energy: -34.333
where: short stacking energy: -27.549
Base-Backbone interact. energy: -0.866
local terms energy: -43.789054
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -8.926
flat angles C4'-P-C4' energy: -8.310
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -11.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -87.314724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.314724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.314724 (E_RNA)
where:
Base-Base interactions energy: -41.006
where: short stacking energy: -15.378
Base-Backbone interact. energy: -0.023
local terms energy: -46.286357
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -3.407
tors. eta vs tors. theta energy: -5.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -70.433189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.433189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.433189 (E_RNA)
where:
Base-Base interactions energy: -24.797
where: short stacking energy: -21.771
Base-Backbone interact. energy: -0.115
local terms energy: -45.521835
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -7.483
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: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -69.706834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.706834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.706834 (E_RNA)
where:
Base-Base interactions energy: -40.974
where: short stacking energy: -11.243
Base-Backbone interact. energy: -0.170
local terms energy: -28.562552
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -7.677
flat angles C4'-P-C4' energy: -4.121
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: 1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -64.143329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.143329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.143329 (E_RNA)
where:
Base-Base interactions energy: -20.967
where: short stacking energy: -13.971
Base-Backbone interact. energy: -0.139
local terms energy: -43.037858
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: 3.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -56.876581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.876581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.876581 (E_RNA)
where:
Base-Base interactions energy: -18.652
where: short stacking energy: -10.564
Base-Backbone interact. energy: 2.461
local terms energy: -40.685225
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -10.174
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: 0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -181.381925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.381925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.381925 (E_RNA)
where:
Base-Base interactions energy: -115.111
where: short stacking energy: -49.153
Base-Backbone interact. energy: -0.381
local terms energy: -65.889953
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -11.057
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -172.881882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.881882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.881882 (E_RNA)
where:
Base-Base interactions energy: -111.793
where: short stacking energy: -45.518
Base-Backbone interact. energy: -1.551
local terms energy: -59.537668
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -171.302385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.302385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.302385 (E_RNA)
where:
Base-Base interactions energy: -105.884
where: short stacking energy: -43.285
Base-Backbone interact. energy: -0.001
local terms energy: -65.417603
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -175.752958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.752958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.752958 (E_RNA)
where:
Base-Base interactions energy: -113.034
where: short stacking energy: -47.032
Base-Backbone interact. energy: -0.002
local terms energy: -62.717471
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -81.104831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.104831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.104831 (E_RNA)
where:
Base-Base interactions energy: -30.695
where: short stacking energy: -12.570
Base-Backbone interact. energy: -0.471
local terms energy: -49.938580
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -71.904155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.904155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.904155 (E_RNA)
where:
Base-Base interactions energy: -26.429
where: short stacking energy: -16.885
Base-Backbone interact. energy: -0.054
local terms energy: -45.420494
where:
bonds (distance) C4'-P energy: -10.552
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -8.003
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: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -69.883679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.883679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.883679 (E_RNA)
where:
Base-Base interactions energy: -30.481
where: short stacking energy: -11.598
Base-Backbone interact. energy: -0.245
local terms energy: -39.157426
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -10.335
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -4.245
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -66.877085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.877085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.877085 (E_RNA)
where:
Base-Base interactions energy: -28.828
where: short stacking energy: -13.889
Base-Backbone interact. energy: -0.342
local terms energy: -37.706551
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -5.236
tors. eta vs tors. theta energy: 4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -81.334449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.334449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.334449 (E_RNA)
where:
Base-Base interactions energy: -32.232
where: short stacking energy: -12.815
Base-Backbone interact. energy: -0.023
local terms energy: -49.079083
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -82.868115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.868115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.868115 (E_RNA)
where:
Base-Base interactions energy: -46.693
where: short stacking energy: -17.353
Base-Backbone interact. energy: -1.176
local terms energy: -34.998693
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -6.770
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -4.045
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -178.021221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.021221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.021221 (E_RNA)
where:
Base-Base interactions energy: -112.460
where: short stacking energy: -45.899
Base-Backbone interact. energy: -0.284
local terms energy: -65.277419
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -174.601019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.601019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.601019 (E_RNA)
where:
Base-Base interactions energy: -115.903
where: short stacking energy: -49.118
Base-Backbone interact. energy: -0.014
local terms energy: -58.683861
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -11.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -177.219813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.219813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.219813 (E_RNA)
where:
Base-Base interactions energy: -118.730
where: short stacking energy: -46.465
Base-Backbone interact. energy: -0.100
local terms energy: -58.389383
where:
bonds (distance) C4'-P energy: -6.995
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -7.639
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: 4, replica: 6
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -160.717507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.717507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.717507 (E_RNA)
where:
Base-Base interactions energy: -103.193
where: short stacking energy: -35.711
Base-Backbone interact. energy: -0.094
local terms energy: -57.429737
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -8.930
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: 5, replica: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -105.805963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.805963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.805963 (E_RNA)
where:
Base-Base interactions energy: -57.639
where: short stacking energy: -28.276
Base-Backbone interact. energy: -0.142
local terms energy: -48.024755
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -6.799
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -5.973
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: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -69.156640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.156640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.156640 (E_RNA)
where:
Base-Base interactions energy: -33.995
where: short stacking energy: -3.430
Base-Backbone interact. energy: -0.011
local terms energy: -35.151549
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: 6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -64.485745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.485745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.485745 (E_RNA)
where:
Base-Base interactions energy: -23.146
where: short stacking energy: -19.846
Base-Backbone interact. energy: -0.015
local terms energy: -41.324535
where:
bonds (distance) C4'-P energy: -9.557
bonds (distance) P-C4' energy: -10.068
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -68.382253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.382253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.382253 (E_RNA)
where:
Base-Base interactions energy: -22.160
where: short stacking energy: -19.331
Base-Backbone interact. energy: -0.385
local terms energy: -45.837036
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -61.307736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.307736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.307736 (E_RNA)
where:
Base-Base interactions energy: -23.720
where: short stacking energy: -15.446
Base-Backbone interact. energy: -0.116
local terms energy: -37.471526
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -7.919
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: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -55.752084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.752084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.752084 (E_RNA)
where:
Base-Base interactions energy: -15.877
where: short stacking energy: -13.941
Base-Backbone interact. energy: -0.013
local terms energy: -39.862865
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -2.669
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -184.357066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.357066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.357066 (E_RNA)
where:
Base-Base interactions energy: -118.192
where: short stacking energy: -50.621
Base-Backbone interact. energy: -0.003
local terms energy: -66.162241
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -19.017
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: 358
Temperature: 0.950000
Total energy: -177.895871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.895871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.895871 (E_RNA)
where:
Base-Base interactions energy: -112.011
where: short stacking energy: -49.110
Base-Backbone interact. energy: -0.003
local terms energy: -65.882316
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -8.468
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: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -175.445680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.445680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.445680 (E_RNA)
where:
Base-Base interactions energy: -115.022
where: short stacking energy: -45.768
Base-Backbone interact. energy: -0.699
local terms energy: -59.724721
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -10.217
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -170.227003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.227003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.227003 (E_RNA)
where:
Base-Base interactions energy: -108.350
where: short stacking energy: -47.200
Base-Backbone interact. energy: -0.841
local terms energy: -61.036048
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -16.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -160.907881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.907881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.907881 (E_RNA)
where:
Base-Base interactions energy: -110.027
where: short stacking energy: -40.436
Base-Backbone interact. energy: -0.092
local terms energy: -50.788502
where:
bonds (distance) C4'-P energy: -8.155
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -4.793
tors. eta vs tors. theta energy: -14.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -69.427325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.427325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.427325 (E_RNA)
where:
Base-Base interactions energy: -30.635
where: short stacking energy: -13.115
Base-Backbone interact. energy: -0.123
local terms energy: -38.669609
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -7.572
flat angles P-C4'-P energy: -8.753
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: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -72.626100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.626100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.626100 (E_RNA)
where:
Base-Base interactions energy: -31.801
where: short stacking energy: -8.294
Base-Backbone interact. energy: -0.016
local terms energy: -40.809376
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -6.978
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: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -70.437672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.437672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.437672 (E_RNA)
where:
Base-Base interactions energy: -26.050
where: short stacking energy: -14.244
Base-Backbone interact. energy: -0.094
local terms energy: -44.293761
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -3.813
tors. eta vs tors. theta energy: -1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -56.346696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.346696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.346696 (E_RNA)
where:
Base-Base interactions energy: -13.946
where: short stacking energy: -13.946
Base-Backbone interact. energy: -0.296
local terms energy: -42.104974
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -8.031
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -2.506
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: 10, replica: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -62.347606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.347606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.347606 (E_RNA)
where:
Base-Base interactions energy: -30.230
where: short stacking energy: -19.925
Base-Backbone interact. energy: -0.217
local terms energy: -31.900085
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -3.529
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -3.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -185.185295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.185295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.185295 (E_RNA)
where:
Base-Base interactions energy: -119.639
where: short stacking energy: -50.015
Base-Backbone interact. energy: -0.015
local terms energy: -65.532200
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -179.082966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.082966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.082966 (E_RNA)
where:
Base-Base interactions energy: -115.533
where: short stacking energy: -43.285
Base-Backbone interact. energy: -0.071
local terms energy: -63.478333
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -175.555482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.555482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.555482 (E_RNA)
where:
Base-Base interactions energy: -114.397
where: short stacking energy: -47.535
Base-Backbone interact. energy: -0.003
local terms energy: -61.155435
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -10.064
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: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -172.075996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.075996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.075996 (E_RNA)
where:
Base-Base interactions energy: -111.514
where: short stacking energy: -42.376
Base-Backbone interact. energy: -0.099
local terms energy: -60.462412
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -13.498
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -7.296
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: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -172.861840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.861840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.861840 (E_RNA)
where:
Base-Base interactions energy: -111.861
where: short stacking energy: -48.920
Base-Backbone interact. energy: 1.268
local terms energy: -62.268395
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -6.987
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: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -74.274046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.274046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.274046 (E_RNA)
where:
Base-Base interactions energy: -28.870
where: short stacking energy: -22.076
Base-Backbone interact. energy: -0.011
local terms energy: -45.393351
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -5.535
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: 10
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -65.452762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.452762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.452762 (E_RNA)
where:
Base-Base interactions energy: -22.762
where: short stacking energy: -22.694
Base-Backbone interact. energy: -0.143
local terms energy: -42.547591
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -9.287
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -57.532429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.532429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.532429 (E_RNA)
where:
Base-Base interactions energy: -15.987
where: short stacking energy: -10.689
Base-Backbone interact. energy: -0.207
local terms energy: -41.338313
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -6.773
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: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -73.934793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.934793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.934793 (E_RNA)
where:
Base-Base interactions energy: -26.686
where: short stacking energy: -26.686
Base-Backbone interact. energy: -0.000
local terms energy: -47.248034
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -7.286
flat angles P-C4'-P energy: -3.889
tors. eta vs tors. theta energy: -12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -56.063834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.063834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.063834 (E_RNA)
where:
Base-Base interactions energy: -14.504
where: short stacking energy: -9.080
Base-Backbone interact. energy: 0.632
local terms energy: -42.191964
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -8.822
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: 1, replica: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -180.271259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.271259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.271259 (E_RNA)
where:
Base-Base interactions energy: -114.434
where: short stacking energy: -47.423
Base-Backbone interact. energy: 0.157
local terms energy: -65.994063
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -9.520
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: 2, replica: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -177.906047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.906047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.906047 (E_RNA)
where:
Base-Base interactions energy: -114.001
where: short stacking energy: -46.564
Base-Backbone interact. energy: -0.017
local terms energy: -63.887629
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -175.334655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.334655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.334655 (E_RNA)
where:
Base-Base interactions energy: -113.132
where: short stacking energy: -42.760
Base-Backbone interact. energy: -0.105
local terms energy: -62.097856
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -9.028
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: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -178.378163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.378163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.378163 (E_RNA)
where:
Base-Base interactions energy: -114.874
where: short stacking energy: -42.475
Base-Backbone interact. energy: -0.445
local terms energy: -63.058958
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -13.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -122.843279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.843279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.843279 (E_RNA)
where:
Base-Base interactions energy: -72.407
where: short stacking energy: -30.169
Base-Backbone interact. energy: 0.452
local terms energy: -50.888935
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -5.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -83.517814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.517814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.517814 (E_RNA)
where:
Base-Base interactions energy: -42.825
where: short stacking energy: -23.334
Base-Backbone interact. energy: 0.468
local terms energy: -41.160638
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -8.694
flat angles P-C4'-P energy: -2.082
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: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -68.084837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.084837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.084837 (E_RNA)
where:
Base-Base interactions energy: -25.704
where: short stacking energy: -11.458
Base-Backbone interact. energy: -0.207
local terms energy: -42.173663
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -9.521
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: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -62.556312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.556312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.556312 (E_RNA)
where:
Base-Base interactions energy: -18.142
where: short stacking energy: -18.040
Base-Backbone interact. energy: 0.858
local terms energy: -45.271714
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -59.868325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.868325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.868325 (E_RNA)
where:
Base-Base interactions energy: -17.635
where: short stacking energy: -12.782
Base-Backbone interact. energy: -0.283
local terms energy: -41.950557
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -0.071
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: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -59.288567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.288567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.288567 (E_RNA)
where:
Base-Base interactions energy: -31.819
where: short stacking energy: -12.967
Base-Backbone interact. energy: -0.245
local terms energy: -27.224741
where:
bonds (distance) C4'-P energy: -7.980
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -7.177
flat angles P-C4'-P energy: -4.007
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: 1, replica: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -181.604307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.604307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.604307 (E_RNA)
where:
Base-Base interactions energy: -116.061
where: short stacking energy: -52.217
Base-Backbone interact. energy: -0.013
local terms energy: -65.529892
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -15.740
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: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -175.399132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.399132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.399132 (E_RNA)
where:
Base-Base interactions energy: -111.724
where: short stacking energy: -45.213
Base-Backbone interact. energy: -0.081
local terms energy: -63.594784
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -17.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -175.211284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.211284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.211284 (E_RNA)
where:
Base-Base interactions energy: -116.283
where: short stacking energy: -49.830
Base-Backbone interact. energy: -0.012
local terms energy: -58.915562
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -6.630
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: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -169.287288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.287288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.287288 (E_RNA)
where:
Base-Base interactions energy: -111.257
where: short stacking energy: -40.104
Base-Backbone interact. energy: -0.046
local terms energy: -57.984584
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -11.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -164.307157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.307157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.307157 (E_RNA)
where:
Base-Base interactions energy: -108.571
where: short stacking energy: -41.943
Base-Backbone interact. energy: -0.280
local terms energy: -55.456059
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -8.990
flat angles P-C4'-P energy: -3.705
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -77.738474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.738474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.738474 (E_RNA)
where:
Base-Base interactions energy: -39.452
where: short stacking energy: -19.549
Base-Backbone interact. energy: -0.099
local terms energy: -38.188115
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: 3.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -68.723359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.723359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.723359 (E_RNA)
where:
Base-Base interactions energy: -38.601
where: short stacking energy: -2.140
Base-Backbone interact. energy: -0.273
local terms energy: -29.849509
where:
bonds (distance) C4'-P energy: -8.052
bonds (distance) P-C4' energy: -8.996
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -3.955
tors. eta vs tors. theta energy: 4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -62.554444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.554444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.554444 (E_RNA)
where:
Base-Base interactions energy: -21.085
where: short stacking energy: -21.085
Base-Backbone interact. energy: -0.507
local terms energy: -40.963227
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -9.367
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -5.270
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: 9, replica: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -63.473330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.473330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.473330 (E_RNA)
where:
Base-Base interactions energy: -19.991
where: short stacking energy: -16.003
Base-Backbone interact. energy: -0.117
local terms energy: -43.365213
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -4.355
tors. eta vs tors. theta energy: -5.272
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: 361
Temperature: 1.350000
Total energy: -61.060353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.060353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.060353 (E_RNA)
where:
Base-Base interactions energy: -15.965
where: short stacking energy: -15.961
Base-Backbone interact. energy: -0.117
local terms energy: -44.978798
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -7.032
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -176.185353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.185353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.185353 (E_RNA)
where:
Base-Base interactions energy: -115.140
where: short stacking energy: -51.302
Base-Backbone interact. energy: -0.010
local terms energy: -61.035921
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -5.859
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: 2, replica: 7
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -181.455663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.455663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.455663 (E_RNA)
where:
Base-Base interactions energy: -123.993
where: short stacking energy: -39.847
Base-Backbone interact. energy: -0.354
local terms energy: -57.109178
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -12.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -173.516691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.516691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.516691 (E_RNA)
where:
Base-Base interactions energy: -112.783
where: short stacking energy: -48.973
Base-Backbone interact. energy: -0.115
local terms energy: -60.618297
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -15.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -168.756129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.756129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.756129 (E_RNA)
where:
Base-Base interactions energy: -107.656
where: short stacking energy: -36.950
Base-Backbone interact. energy: -0.136
local terms energy: -60.964628
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -12.005
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: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -168.376994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.376994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.376994 (E_RNA)
where:
Base-Base interactions energy: -106.412
where: short stacking energy: -42.722
Base-Backbone interact. energy: -0.178
local terms energy: -61.787739
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -10.338
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: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -71.996449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.996449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.996449 (E_RNA)
where:
Base-Base interactions energy: -24.188
where: short stacking energy: -13.469
Base-Backbone interact. energy: -1.140
local terms energy: -46.668898
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: 0.766
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: 2
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -80.444578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.444578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.444578 (E_RNA)
where:
Base-Base interactions energy: -31.585
where: short stacking energy: -27.469
Base-Backbone interact. energy: -0.074
local terms energy: -48.785637
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -8.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -65.996108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.996108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.996108 (E_RNA)
where:
Base-Base interactions energy: -23.031
where: short stacking energy: -14.711
Base-Backbone interact. energy: -0.015
local terms energy: -42.950363
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -5.031
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -8.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -68.661549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.661549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.661549 (E_RNA)
where:
Base-Base interactions energy: -26.236
where: short stacking energy: -21.677
Base-Backbone interact. energy: -0.793
local terms energy: -41.632630
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -2.062
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: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -54.526078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.526078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.526078 (E_RNA)
where:
Base-Base interactions energy: -13.530
where: short stacking energy: -12.729
Base-Backbone interact. energy: -0.162
local terms energy: -40.833548
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: 0.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -175.355859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.355859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.355859 (E_RNA)
where:
Base-Base interactions energy: -113.345
where: short stacking energy: -39.858
Base-Backbone interact. energy: -0.178
local terms energy: -61.832760
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -13.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -171.510882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.510882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.510882 (E_RNA)
where:
Base-Base interactions energy: -109.554
where: short stacking energy: -39.719
Base-Backbone interact. energy: -0.112
local terms energy: -61.844207
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -11.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -171.636550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.636550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.636550 (E_RNA)
where:
Base-Base interactions energy: -113.052
where: short stacking energy: -41.641
Base-Backbone interact. energy: -0.034
local terms energy: -58.550902
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -10.604
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -16.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -174.775940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.775940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.775940 (E_RNA)
where:
Base-Base interactions energy: -111.592
where: short stacking energy: -41.914
Base-Backbone interact. energy: -0.599
local terms energy: -62.585022
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -16.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -159.990748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.990748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.990748 (E_RNA)
where:
Base-Base interactions energy: -105.439
where: short stacking energy: -41.458
Base-Backbone interact. energy: -0.120
local terms energy: -54.431442
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -14.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -112.613036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.613036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.613036 (E_RNA)
where:
Base-Base interactions energy: -67.265
where: short stacking energy: -23.309
Base-Backbone interact. energy: -0.118
local terms energy: -45.229673
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -9.478
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -5.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -79.321195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.321195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.321195 (E_RNA)
where:
Base-Base interactions energy: -39.997
where: short stacking energy: -23.397
Base-Backbone interact. energy: -0.100
local terms energy: -39.224563
where:
bonds (distance) C4'-P energy: -9.405
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -65.476191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.476191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.476191 (E_RNA)
where:
Base-Base interactions energy: -29.550
where: short stacking energy: -13.680
Base-Backbone interact. energy: -0.150
local terms energy: -35.775597
where:
bonds (distance) C4'-P energy: -8.834
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -6.182
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -67.141150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.141150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.141150 (E_RNA)
where:
Base-Base interactions energy: -31.584
where: short stacking energy: -28.305
Base-Backbone interact. energy: -0.445
local terms energy: -35.112239
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -9.235
flat angles C4'-P-C4' energy: -8.324
flat angles P-C4'-P energy: -3.936
tors. eta vs tors. theta energy: -3.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -71.231434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.231434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.231434 (E_RNA)
where:
Base-Base interactions energy: -25.193
where: short stacking energy: -23.771
Base-Backbone interact. energy: -0.007
local terms energy: -46.031638
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -3.101
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: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -177.722869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.722869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.722869 (E_RNA)
where:
Base-Base interactions energy: -112.783
where: short stacking energy: -51.807
Base-Backbone interact. energy: -0.369
local terms energy: -64.570843
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -15.067
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -164.397791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.397791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.397791 (E_RNA)
where:
Base-Base interactions energy: -108.479
where: short stacking energy: -42.328
Base-Backbone interact. energy: -0.140
local terms energy: -55.778517
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -172.872203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.872203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.872203 (E_RNA)
where:
Base-Base interactions energy: -114.942
where: short stacking energy: -48.292
Base-Backbone interact. energy: -0.001
local terms energy: -57.928592
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -17.758
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: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -174.199123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.199123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.199123 (E_RNA)
where:
Base-Base interactions energy: -114.111
where: short stacking energy: -42.024
Base-Backbone interact. energy: -0.099
local terms energy: -59.989587
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -8.660
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: 364
Temperature: 1.100000
Total energy: -171.592880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.592880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.592880 (E_RNA)
where:
Base-Base interactions energy: -107.969
where: short stacking energy: -45.479
Base-Backbone interact. energy: -0.115
local terms energy: -63.509549
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -11.257
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: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -117.231526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.231526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.231526 (E_RNA)
where:
Base-Base interactions energy: -66.760
where: short stacking energy: -26.394
Base-Backbone interact. energy: 0.827
local terms energy: -51.298891
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -80.220425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.220425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.220425 (E_RNA)
where:
Base-Base interactions energy: -29.718
where: short stacking energy: -8.482
Base-Backbone interact. energy: -0.309
local terms energy: -50.193701
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -59.065979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.065979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.065979 (E_RNA)
where:
Base-Base interactions energy: -22.377
where: short stacking energy: -22.377
Base-Backbone interact. energy: -0.130
local terms energy: -36.558670
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -0.695
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -2.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -77.413585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.413585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.413585 (E_RNA)
where:
Base-Base interactions energy: -37.319
where: short stacking energy: -14.824
Base-Backbone interact. energy: 0.167
local terms energy: -40.261663
where:
bonds (distance) C4'-P energy: -9.989
bonds (distance) P-C4' energy: -9.763
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -0.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -73.202438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.202438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.202438 (E_RNA)
where:
Base-Base interactions energy: -22.495
where: short stacking energy: -21.748
Base-Backbone interact. energy: -0.050
local terms energy: -50.656548
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -7.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -175.782492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.782492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.782492 (E_RNA)
where:
Base-Base interactions energy: -115.485
where: short stacking energy: -44.484
Base-Backbone interact. energy: -0.612
local terms energy: -59.686179
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -12.422
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: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -178.494194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.494194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.494194 (E_RNA)
where:
Base-Base interactions energy: -117.901
where: short stacking energy: -44.538
Base-Backbone interact. energy: -0.005
local terms energy: -60.587433
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -15.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -181.894678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.894678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.894678 (E_RNA)
where:
Base-Base interactions energy: -118.635
where: short stacking energy: -41.272
Base-Backbone interact. energy: -0.080
local terms energy: -63.180407
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -173.099712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.099712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.099712 (E_RNA)
where:
Base-Base interactions energy: -110.464
where: short stacking energy: -44.103
Base-Backbone interact. energy: -0.024
local terms energy: -62.611961
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -166.635112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.635112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.635112 (E_RNA)
where:
Base-Base interactions energy: -105.193
where: short stacking energy: -36.211
Base-Backbone interact. energy: -0.748
local terms energy: -60.694018
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -97.072952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.072952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.072952 (E_RNA)
where:
Base-Base interactions energy: -52.198
where: short stacking energy: -12.710
Base-Backbone interact. energy: -0.112
local terms energy: -44.762751
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -11.398
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -6.070
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: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -60.054324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.054324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.054324 (E_RNA)
where:
Base-Base interactions energy: -21.425
where: short stacking energy: -16.054
Base-Backbone interact. energy: -0.346
local terms energy: -38.283992
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -8.277
flat angles P-C4'-P energy: -4.568
tors. eta vs tors. theta energy: -1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -58.519855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.519855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.519855 (E_RNA)
where:
Base-Base interactions energy: -15.159
where: short stacking energy: -14.165
Base-Backbone interact. energy: -0.270
local terms energy: -43.091255
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -9.216
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -10.300
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: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -55.398808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.398808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.398808 (E_RNA)
where:
Base-Base interactions energy: -15.404
where: short stacking energy: -15.404
Base-Backbone interact. energy: -0.219
local terms energy: -39.776413
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -9.042
flat angles C4'-P-C4' energy: -8.273
flat angles P-C4'-P energy: -5.529
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: 10, replica: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -59.028975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.028975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.028975 (E_RNA)
where:
Base-Base interactions energy: -23.995
where: short stacking energy: -18.813
Base-Backbone interact. energy: -0.008
local terms energy: -35.026480
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -9.163
flat angles C4'-P-C4' energy: -6.145
flat angles P-C4'-P energy: -3.293
tors. eta vs tors. theta energy: -3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -182.964939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.964939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.964939 (E_RNA)
where:
Base-Base interactions energy: -120.747
where: short stacking energy: -45.321
Base-Backbone interact. energy: -0.114
local terms energy: -62.103805
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -15.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -172.006075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.006075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.006075 (E_RNA)
where:
Base-Base interactions energy: -113.717
where: short stacking energy: -52.429
Base-Backbone interact. energy: -0.046
local terms energy: -58.243585
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -14.101
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: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -175.864202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.864202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.864202 (E_RNA)
where:
Base-Base interactions energy: -115.276
where: short stacking energy: -49.550
Base-Backbone interact. energy: -0.005
local terms energy: -60.583654
where:
bonds (distance) C4'-P energy: -8.709
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -169.801384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.801384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.801384 (E_RNA)
where:
Base-Base interactions energy: -115.683
where: short stacking energy: -46.315
Base-Backbone interact. energy: -0.062
local terms energy: -54.056078
where:
bonds (distance) C4'-P energy: -5.793
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -6.898
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: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -159.085871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.085871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.085871 (E_RNA)
where:
Base-Base interactions energy: -102.485
where: short stacking energy: -40.936
Base-Backbone interact. energy: -0.267
local terms energy: -56.333683
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -12.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -90.630383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.630383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.630383 (E_RNA)
where:
Base-Base interactions energy: -45.202
where: short stacking energy: -22.724
Base-Backbone interact. energy: 0.112
local terms energy: -45.540746
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -7.000
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -70.227389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.227389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.227389 (E_RNA)
where:
Base-Base interactions energy: -31.774
where: short stacking energy: -22.993
Base-Backbone interact. energy: -1.120
local terms energy: -37.333552
where:
bonds (distance) C4'-P energy: -10.072
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -5.400
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -70.449164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.449164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.449164 (E_RNA)
where:
Base-Base interactions energy: -40.460
where: short stacking energy: -14.949
Base-Backbone interact. energy: -0.191
local terms energy: -29.797332
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -2.892
flat angles P-C4'-P energy: -2.836
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: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -66.811185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.811185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.811185 (E_RNA)
where:
Base-Base interactions energy: -24.097
where: short stacking energy: -16.400
Base-Backbone interact. energy: -0.223
local terms energy: -42.491320
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -61.720771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.720771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.720771 (E_RNA)
where:
Base-Base interactions energy: -15.312
where: short stacking energy: -12.223
Base-Backbone interact. energy: -0.052
local terms energy: -46.357705
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -7.349
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: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -177.153608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.153608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.153608 (E_RNA)
where:
Base-Base interactions energy: -112.867
where: short stacking energy: -43.745
Base-Backbone interact. energy: -0.005
local terms energy: -64.281807
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -17.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -177.745704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.745704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.745704 (E_RNA)
where:
Base-Base interactions energy: -116.031
where: short stacking energy: -48.906
Base-Backbone interact. energy: -0.299
local terms energy: -61.416191
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -6.484
tors. eta vs tors. theta energy: -16.772
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: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -169.163932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.163932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.163932 (E_RNA)
where:
Base-Base interactions energy: -108.778
where: short stacking energy: -46.771
Base-Backbone interact. energy: -0.014
local terms energy: -60.372384
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -13.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -167.398938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.398938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.398938 (E_RNA)
where:
Base-Base interactions energy: -107.621
where: short stacking energy: -39.178
Base-Backbone interact. energy: -0.106
local terms energy: -59.671424
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -9.977
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: 5, replica: 7
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -163.604232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.604232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.604232 (E_RNA)
where:
Base-Base interactions energy: -103.996
where: short stacking energy: -39.793
Base-Backbone interact. energy: -0.964
local terms energy: -58.644180
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -13.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -80.099150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.099150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.099150 (E_RNA)
where:
Base-Base interactions energy: -41.937
where: short stacking energy: -11.155
Base-Backbone interact. energy: -0.069
local terms energy: -38.092743
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -8.149
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -3.133
tors. eta vs tors. theta energy: -6.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -106.934655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.934655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.934655 (E_RNA)
where:
Base-Base interactions energy: -58.600
where: short stacking energy: -29.839
Base-Backbone interact. energy: -0.072
local terms energy: -48.262668
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -5.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -65.133550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.133550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.133550 (E_RNA)
where:
Base-Base interactions energy: -19.049
where: short stacking energy: -19.049
Base-Backbone interact. energy: -0.004
local terms energy: -46.079806
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -3.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -68.014121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.014121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.014121 (E_RNA)
where:
Base-Base interactions energy: -35.139
where: short stacking energy: -9.451
Base-Backbone interact. energy: -0.656
local terms energy: -32.218921
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -6.886
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -50.958944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.958944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.958944 (E_RNA)
where:
Base-Base interactions energy: -20.751
where: short stacking energy: -12.359
Base-Backbone interact. energy: 0.016
local terms energy: -30.223439
where:
bonds (distance) C4'-P energy: -7.369
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -3.324
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: 1, replica: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -179.001607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.001607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.001607 (E_RNA)
where:
Base-Base interactions energy: -115.240
where: short stacking energy: -45.496
Base-Backbone interact. energy: -0.056
local terms energy: -63.705441
where:
bonds (distance) C4'-P energy: -8.152
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -177.812277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.812277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.812277 (E_RNA)
where:
Base-Base interactions energy: -117.063
where: short stacking energy: -44.291
Base-Backbone interact. energy: 1.454
local terms energy: -62.203410
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -9.270
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: 6
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -169.701990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.701990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.701990 (E_RNA)
where:
Base-Base interactions energy: -111.374
where: short stacking energy: -41.612
Base-Backbone interact. energy: -0.112
local terms energy: -58.215800
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -10.242
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -14.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -170.624393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.624393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.624393 (E_RNA)
where:
Base-Base interactions energy: -111.589
where: short stacking energy: -44.580
Base-Backbone interact. energy: -0.365
local terms energy: -58.669525
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -169.735113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.735113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.735113 (E_RNA)
where:
Base-Base interactions energy: -115.975
where: short stacking energy: -46.486
Base-Backbone interact. energy: -0.000
local terms energy: -53.760252
where:
bonds (distance) C4'-P energy: -9.099
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -10.552
flat angles P-C4'-P energy: -6.112
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -79.611712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.611712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.611712 (E_RNA)
where:
Base-Base interactions energy: -42.735
where: short stacking energy: -11.000
Base-Backbone interact. energy: -1.654
local terms energy: -35.223340
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -9.661
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: 0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -104.770149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.770149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.770149 (E_RNA)
where:
Base-Base interactions energy: -57.834
where: short stacking energy: -25.216
Base-Backbone interact. energy: -0.098
local terms energy: -46.838500
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -5.810
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: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -65.334428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.334428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.334428 (E_RNA)
where:
Base-Base interactions energy: -14.184
where: short stacking energy: -14.184
Base-Backbone interact. energy: -0.103
local terms energy: -51.047266
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -6.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -65.373256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.373256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.373256 (E_RNA)
where:
Base-Base interactions energy: -22.927
where: short stacking energy: -14.600
Base-Backbone interact. energy: -0.270
local terms energy: -42.175924
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -7.816
flat angles P-C4'-P energy: -7.603
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: 10, replica: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -61.018372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.018372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.018372 (E_RNA)
where:
Base-Base interactions energy: -21.172
where: short stacking energy: -12.285
Base-Backbone interact. energy: -0.088
local terms energy: -39.758124
where:
bonds (distance) C4'-P energy: -7.435
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -181.553512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.553512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.553512 (E_RNA)
where:
Base-Base interactions energy: -119.587
where: short stacking energy: -38.864
Base-Backbone interact. energy: 0.156
local terms energy: -62.123128
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -12.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -183.463088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.463088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.463088 (E_RNA)
where:
Base-Base interactions energy: -120.462
where: short stacking energy: -48.321
Base-Backbone interact. energy: 0.681
local terms energy: -63.682364
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -9.344
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: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -173.134230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.134230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.134230 (E_RNA)
where:
Base-Base interactions energy: -116.782
where: short stacking energy: -47.528
Base-Backbone interact. energy: -0.075
local terms energy: -56.277345
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -8.996
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -7.032
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: 4, replica: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -175.620399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.620399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.620399 (E_RNA)
where:
Base-Base interactions energy: -115.687
where: short stacking energy: -45.072
Base-Backbone interact. energy: -0.025
local terms energy: -59.907957
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -9.298
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -16.797
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: 5, replica: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -169.254874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.254874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.254874 (E_RNA)
where:
Base-Base interactions energy: -106.586
where: short stacking energy: -40.760
Base-Backbone interact. energy: -0.000
local terms energy: -62.668413
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -15.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -109.056861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.056861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.056861 (E_RNA)
where:
Base-Base interactions energy: -64.626
where: short stacking energy: -25.961
Base-Backbone interact. energy: -0.028
local terms energy: -44.402858
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -6.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -62.739697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.739697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.739697 (E_RNA)
where:
Base-Base interactions energy: -22.739
where: short stacking energy: -22.739
Base-Backbone interact. energy: -0.030
local terms energy: -39.970061
where:
bonds (distance) C4'-P energy: -9.446
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -8.689
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: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -64.362918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.362918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.362918 (E_RNA)
where:
Base-Base interactions energy: -25.444
where: short stacking energy: -3.982
Base-Backbone interact. energy: -0.586
local terms energy: -38.332321
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: 3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -77.418502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.418502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.418502 (E_RNA)
where:
Base-Base interactions energy: -26.701
where: short stacking energy: -15.570
Base-Backbone interact. energy: -0.067
local terms energy: -50.650101
where:
bonds (distance) C4'-P energy: -7.149
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -8.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -62.577491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.577491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.577491 (E_RNA)
where:
Base-Base interactions energy: -25.746
where: short stacking energy: -19.971
Base-Backbone interact. energy: -0.022
local terms energy: -36.809249
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -3.955
flat angles P-C4'-P energy: -2.715
tors. eta vs tors. theta energy: -4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -184.996536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.996536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.996536 (E_RNA)
where:
Base-Base interactions energy: -123.496
where: short stacking energy: -38.407
Base-Backbone interact. energy: -0.406
local terms energy: -61.095161
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -13.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -172.941337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.941337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.941337 (E_RNA)
where:
Base-Base interactions energy: -118.163
where: short stacking energy: -50.236
Base-Backbone interact. energy: -0.006
local terms energy: -54.771701
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -8.908
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -174.195425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.195425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.195425 (E_RNA)
where:
Base-Base interactions energy: -114.568
where: short stacking energy: -46.162
Base-Backbone interact. energy: -0.112
local terms energy: -59.515231
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -16.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -163.322281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.322281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.322281 (E_RNA)
where:
Base-Base interactions energy: -109.619
where: short stacking energy: -43.834
Base-Backbone interact. energy: -0.181
local terms energy: -53.522249
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -7.470
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -166.946248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.946248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.946248 (E_RNA)
where:
Base-Base interactions energy: -104.402
where: short stacking energy: -45.530
Base-Backbone interact. energy: -0.010
local terms energy: -62.534128
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -14.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -91.423954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.423954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.423954 (E_RNA)
where:
Base-Base interactions energy: -53.830
where: short stacking energy: -16.128
Base-Backbone interact. energy: -0.364
local terms energy: -37.230300
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -8.056
flat angles C4'-P-C4' energy: -7.803
flat angles P-C4'-P energy: -7.848
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: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -65.939148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.939148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.939148 (E_RNA)
where:
Base-Base interactions energy: -23.189
where: short stacking energy: -23.189
Base-Backbone interact. energy: -0.124
local terms energy: -42.626251
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -2.772
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -74.932987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.932987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.932987 (E_RNA)
where:
Base-Base interactions energy: -34.377
where: short stacking energy: -11.861
Base-Backbone interact. energy: 0.019
local terms energy: -40.574950
where:
bonds (distance) C4'-P energy: -9.194
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -9.877
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -55.904260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.904260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.904260 (E_RNA)
where:
Base-Base interactions energy: -23.324
where: short stacking energy: -18.280
Base-Backbone interact. energy: -0.140
local terms energy: -32.440316
where:
bonds (distance) C4'-P energy: -8.449
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -6.709
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: 0.696
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: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -61.159542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.159542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.159542 (E_RNA)
where:
Base-Base interactions energy: -18.631
where: short stacking energy: -9.917
Base-Backbone interact. energy: -0.255
local terms energy: -42.273178
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -9.665
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -1.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -177.683135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.683135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.683135 (E_RNA)
where:
Base-Base interactions energy: -118.191
where: short stacking energy: -42.863
Base-Backbone interact. energy: -0.156
local terms energy: -59.336598
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -12.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -176.211862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.211862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.211862 (E_RNA)
where:
Base-Base interactions energy: -113.853
where: short stacking energy: -43.944
Base-Backbone interact. energy: -0.118
local terms energy: -62.240721
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -8.802
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: 6
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -171.342431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.342431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.342431 (E_RNA)
where:
Base-Base interactions energy: -108.239
where: short stacking energy: -44.016
Base-Backbone interact. energy: -0.107
local terms energy: -62.996486
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -163.783203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.783203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.783203 (E_RNA)
where:
Base-Base interactions energy: -107.175
where: short stacking energy: -38.521
Base-Backbone interact. energy: -0.671
local terms energy: -55.936665
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -8.037
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -168.043037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.043037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.043037 (E_RNA)
where:
Base-Base interactions energy: -108.356
where: short stacking energy: -41.038
Base-Backbone interact. energy: -0.092
local terms energy: -59.594442
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -10.219
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -79.692067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.692067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.692067 (E_RNA)
where:
Base-Base interactions energy: -28.174
where: short stacking energy: -28.174
Base-Backbone interact. energy: -0.000
local terms energy: -51.517480
where:
bonds (distance) C4'-P energy: -9.111
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -72.374490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.374490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.374490 (E_RNA)
where:
Base-Base interactions energy: -34.171
where: short stacking energy: -17.371
Base-Backbone interact. energy: -1.049
local terms energy: -37.154039
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -8.072
flat angles P-C4'-P energy: -2.323
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: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -69.822725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.822725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.822725 (E_RNA)
where:
Base-Base interactions energy: -37.657
where: short stacking energy: -23.788
Base-Backbone interact. energy: -0.223
local terms energy: -31.941872
where:
bonds (distance) C4'-P energy: -8.056
bonds (distance) P-C4' energy: -10.914
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -4.119
tors. eta vs tors. theta energy: 0.101
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: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -69.486826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.486826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.486826 (E_RNA)
where:
Base-Base interactions energy: -22.096
where: short stacking energy: -16.026
Base-Backbone interact. energy: -0.204
local terms energy: -47.186482
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -70.972100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.972100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.972100 (E_RNA)
where:
Base-Base interactions energy: -27.942
where: short stacking energy: -18.640
Base-Backbone interact. energy: -0.388
local terms energy: -42.642696
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -8.184
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -179.582700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.582700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.582700 (E_RNA)
where:
Base-Base interactions energy: -113.437
where: short stacking energy: -48.288
Base-Backbone interact. energy: -0.247
local terms energy: -65.899320
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -10.664
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: 2, replica: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -175.907471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.907471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.907471 (E_RNA)
where:
Base-Base interactions energy: -117.839
where: short stacking energy: -48.129
Base-Backbone interact. energy: -1.222
local terms energy: -56.847095
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -9.215
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -13.855
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: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -171.889791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.889791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.889791 (E_RNA)
where:
Base-Base interactions energy: -113.267
where: short stacking energy: -43.918
Base-Backbone interact. energy: 0.717
local terms energy: -59.339229
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -12.853
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: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -163.264688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.264688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.264688 (E_RNA)
where:
Base-Base interactions energy: -110.488
where: short stacking energy: -36.724
Base-Backbone interact. energy: -0.175
local terms energy: -52.601688
where:
bonds (distance) C4'-P energy: -10.043
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -168.133351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.133351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.133351 (E_RNA)
where:
Base-Base interactions energy: -107.274
where: short stacking energy: -45.182
Base-Backbone interact. energy: -0.037
local terms energy: -60.822744
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -15.582
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: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -69.940173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.940173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.940173 (E_RNA)
where:
Base-Base interactions energy: -20.771
where: short stacking energy: -20.771
Base-Backbone interact. energy: -0.075
local terms energy: -49.094179
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -7.576
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -72.276019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.276019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.276019 (E_RNA)
where:
Base-Base interactions energy: -27.743
where: short stacking energy: -16.498
Base-Backbone interact. energy: -0.043
local terms energy: -44.490108
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -63.925692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.925692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.925692 (E_RNA)
where:
Base-Base interactions energy: -21.068
where: short stacking energy: -8.346
Base-Backbone interact. energy: -0.059
local terms energy: -42.799262
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -8.346
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -58.648410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.648410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.648410 (E_RNA)
where:
Base-Base interactions energy: -20.338
where: short stacking energy: -7.207
Base-Backbone interact. energy: -0.205
local terms energy: -38.105466
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -2.432
tors. eta vs tors. theta energy: 2.586
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: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -56.607002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.607002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.607002 (E_RNA)
where:
Base-Base interactions energy: -14.135
where: short stacking energy: -14.135
Base-Backbone interact. energy: -0.325
local terms energy: -42.146968
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -7.216
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -180.485073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.485073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.485073 (E_RNA)
where:
Base-Base interactions energy: -116.089
where: short stacking energy: -43.299
Base-Backbone interact. energy: -0.911
local terms energy: -63.484955
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -176.688083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.688083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.688083 (E_RNA)
where:
Base-Base interactions energy: -111.503
where: short stacking energy: -44.900
Base-Backbone interact. energy: -0.061
local terms energy: -65.124061
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -8.423
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: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -168.001895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.001895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.001895 (E_RNA)
where:
Base-Base interactions energy: -114.403
where: short stacking energy: -47.234
Base-Backbone interact. energy: -0.012
local terms energy: -53.586600
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -9.163
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -5.756
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -170.155609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.155609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.155609 (E_RNA)
where:
Base-Base interactions energy: -112.420
where: short stacking energy: -43.587
Base-Backbone interact. energy: -0.381
local terms energy: -57.354282
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -166.026617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.026617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.026617 (E_RNA)
where:
Base-Base interactions energy: -112.648
where: short stacking energy: -40.407
Base-Backbone interact. energy: -0.021
local terms energy: -53.357863
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -9.150
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -3.193
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: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -74.816600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.816600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.816600 (E_RNA)
where:
Base-Base interactions energy: -31.010
where: short stacking energy: -16.180
Base-Backbone interact. energy: 0.753
local terms energy: -44.559884
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -76.009551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.009551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.009551 (E_RNA)
where:
Base-Base interactions energy: -29.708
where: short stacking energy: -21.222
Base-Backbone interact. energy: 0.147
local terms energy: -46.448634
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -9.206
flat angles P-C4'-P energy: -8.522
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: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -111.245066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.245066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.245066 (E_RNA)
where:
Base-Base interactions energy: -65.267
where: short stacking energy: -30.860
Base-Backbone interact. energy: -0.329
local terms energy: -45.648211
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -8.486
flat angles P-C4'-P energy: -8.827
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: 9, replica: 2
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -54.611625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.611625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.611625 (E_RNA)
where:
Base-Base interactions energy: -18.413
where: short stacking energy: -16.342
Base-Backbone interact. energy: -0.012
local terms energy: -36.186632
where:
bonds (distance) C4'-P energy: -8.391
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -4.103
flat angles P-C4'-P energy: -9.280
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: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -62.298902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.298902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.298902 (E_RNA)
where:
Base-Base interactions energy: -39.843
where: short stacking energy: -9.614
Base-Backbone interact. energy: -0.353
local terms energy: -22.102831
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -1.760
flat angles P-C4'-P energy: -1.879
tors. eta vs tors. theta energy: 4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -183.009253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.009253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.009253 (E_RNA)
where:
Base-Base interactions energy: -115.847
where: short stacking energy: -48.641
Base-Backbone interact. energy: -0.000
local terms energy: -67.162490
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -18.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -178.297037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.297037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.297037 (E_RNA)
where:
Base-Base interactions energy: -112.918
where: short stacking energy: -47.131
Base-Backbone interact. energy: -0.029
local terms energy: -65.350536
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -171.670041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.670041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.670041 (E_RNA)
where:
Base-Base interactions energy: -108.699
where: short stacking energy: -44.499
Base-Backbone interact. energy: -0.193
local terms energy: -62.777411
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -9.342
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: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -178.016928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.016928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.016928 (E_RNA)
where:
Base-Base interactions energy: -112.085
where: short stacking energy: -46.517
Base-Backbone interact. energy: -0.025
local terms energy: -65.907025
where:
bonds (distance) C4'-P energy: -8.374
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -14.687
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -15.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -168.691582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.691582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.691582 (E_RNA)
where:
Base-Base interactions energy: -109.059
where: short stacking energy: -40.705
Base-Backbone interact. energy: -0.001
local terms energy: -59.631555
where:
bonds (distance) C4'-P energy: -7.028
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -74.302037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.302037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.302037 (E_RNA)
where:
Base-Base interactions energy: -25.407
where: short stacking energy: -21.515
Base-Backbone interact. energy: -0.020
local terms energy: -48.875657
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -97.408763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.408763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.408763 (E_RNA)
where:
Base-Base interactions energy: -55.722
where: short stacking energy: -28.806
Base-Backbone interact. energy: -0.036
local terms energy: -41.650069
where:
bonds (distance) C4'-P energy: -8.854
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -63.030354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.030354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.030354 (E_RNA)
where:
Base-Base interactions energy: -22.531
where: short stacking energy: -13.509
Base-Backbone interact. energy: -0.084
local terms energy: -40.415180
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -5.837
flat angles P-C4'-P energy: -5.229
tors. eta vs tors. theta energy: -5.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -81.908260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.908260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.908260 (E_RNA)
where:
Base-Base interactions energy: -39.302
where: short stacking energy: -18.109
Base-Backbone interact. energy: -0.109
local terms energy: -42.497234
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -5.688
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: 10, replica: 2
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -68.268704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.268704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.268704 (E_RNA)
where:
Base-Base interactions energy: -21.566
where: short stacking energy: -20.529
Base-Backbone interact. energy: 0.933
local terms energy: -47.635871
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -3.207
tors. eta vs tors. theta energy: -5.504
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: 1, replica: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -181.536577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.536577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.536577 (E_RNA)
where:
Base-Base interactions energy: -119.054
where: short stacking energy: -48.257
Base-Backbone interact. energy: -0.000
local terms energy: -62.482247
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -16.131
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: 2, replica: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -175.012858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.012858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.012858 (E_RNA)
where:
Base-Base interactions energy: -115.317
where: short stacking energy: -45.554
Base-Backbone interact. energy: -1.058
local terms energy: -58.638579
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -14.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -177.021110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.021110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.021110 (E_RNA)
where:
Base-Base interactions energy: -120.183
where: short stacking energy: -49.866
Base-Backbone interact. energy: -0.002
local terms energy: -56.835502
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -9.224
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -16.088
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: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -172.937514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.937514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.937514 (E_RNA)
where:
Base-Base interactions energy: -122.470
where: short stacking energy: -37.836
Base-Backbone interact. energy: -0.945
local terms energy: -49.522344
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -9.286
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -11.696
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: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -158.187181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.187181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.187181 (E_RNA)
where:
Base-Base interactions energy: -99.113
where: short stacking energy: -39.992
Base-Backbone interact. energy: -0.036
local terms energy: -59.038354
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -9.203
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -116.889653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.889653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.889653 (E_RNA)
where:
Base-Base interactions energy: -61.530
where: short stacking energy: -31.351
Base-Backbone interact. energy: 0.038
local terms energy: -55.397826
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -63.492798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.492798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.492798 (E_RNA)
where:
Base-Base interactions energy: -19.114
where: short stacking energy: -9.947
Base-Backbone interact. energy: -0.492
local terms energy: -43.886985
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -3.429
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -87.861804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.861804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.861804 (E_RNA)
where:
Base-Base interactions energy: -48.101
where: short stacking energy: -23.874
Base-Backbone interact. energy: 0.447
local terms energy: -40.208096
where:
bonds (distance) C4'-P energy: -7.255
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -9.440
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: 9, replica: 5
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -65.995589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.995589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.995589 (E_RNA)
where:
Base-Base interactions energy: -16.088
where: short stacking energy: -16.088
Base-Backbone interact. energy: -0.187
local terms energy: -49.720577
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -9.084
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: 10, replica: 2
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -58.076318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.076318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.076318 (E_RNA)
where:
Base-Base interactions energy: -21.349
where: short stacking energy: -8.420
Base-Backbone interact. energy: -0.415
local terms energy: -36.312312
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -9.271
flat angles C4'-P-C4' energy: -8.486
flat angles P-C4'-P energy: -8.796
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: 1, replica: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -174.912266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.912266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.912266 (E_RNA)
where:
Base-Base interactions energy: -115.662
where: short stacking energy: -42.077
Base-Backbone interact. energy: -0.035
local terms energy: -59.215747
where:
bonds (distance) C4'-P energy: -9.331
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -179.226628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.226628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.226628 (E_RNA)
where:
Base-Base interactions energy: -111.337
where: short stacking energy: -47.946
Base-Backbone interact. energy: -0.004
local terms energy: -67.885016
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -17.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -178.060353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.060353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.060353 (E_RNA)
where:
Base-Base interactions energy: -114.973
where: short stacking energy: -45.963
Base-Backbone interact. energy: -0.046
local terms energy: -63.041625
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -175.426022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.426022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.426022 (E_RNA)
where:
Base-Base interactions energy: -116.387
where: short stacking energy: -38.566
Base-Backbone interact. energy: -0.053
local terms energy: -58.985848
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -9.866
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -16.133
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: 1
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -172.260634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.260634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.260634 (E_RNA)
where:
Base-Base interactions energy: -117.187
where: short stacking energy: -46.639
Base-Backbone interact. energy: -0.082
local terms energy: -54.991625
where:
bonds (distance) C4'-P energy: -8.702
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -15.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -141.451302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.451302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.451302 (E_RNA)
where:
Base-Base interactions energy: -93.367
where: short stacking energy: -30.586
Base-Backbone interact. energy: -0.221
local terms energy: -47.863022
where:
bonds (distance) C4'-P energy: -3.641
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -67.899029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.899029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.899029 (E_RNA)
where:
Base-Base interactions energy: -32.236
where: short stacking energy: -16.354
Base-Backbone interact. energy: -0.673
local terms energy: -34.989809
where:
bonds (distance) C4'-P energy: -5.469
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: 0.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -64.899768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.899768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.899768 (E_RNA)
where:
Base-Base interactions energy: -20.947
where: short stacking energy: -19.347
Base-Backbone interact. energy: -0.046
local terms energy: -43.907272
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -5.335
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -6.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -61.425538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.425538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.425538 (E_RNA)
where:
Base-Base interactions energy: -15.346
where: short stacking energy: -13.174
Base-Backbone interact. energy: -0.052
local terms energy: -46.026761
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -56.894891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.894891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.894891 (E_RNA)
where:
Base-Base interactions energy: -15.933
where: short stacking energy: -9.624
Base-Backbone interact. energy: -0.171
local terms energy: -40.790912
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -6.213
flat angles P-C4'-P energy: -7.557
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: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -174.310704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.310704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.310704 (E_RNA)
where:
Base-Base interactions energy: -113.120
where: short stacking energy: -43.449
Base-Backbone interact. energy: 2.362
local terms energy: -63.553060
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -9.678
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: 2, replica: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -178.022826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.022826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.022826 (E_RNA)
where:
Base-Base interactions energy: -118.190
where: short stacking energy: -49.545
Base-Backbone interact. energy: -0.024
local terms energy: -59.808819
where:
bonds (distance) C4'-P energy: -9.599
bonds (distance) P-C4' energy: -9.306
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -17.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -178.633772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.633772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.633772 (E_RNA)
where:
Base-Base interactions energy: -118.849
where: short stacking energy: -46.356
Base-Backbone interact. energy: -0.005
local terms energy: -59.779204
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -177.455404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.455404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.455404 (E_RNA)
where:
Base-Base interactions energy: -117.196
where: short stacking energy: -49.029
Base-Backbone interact. energy: -0.007
local terms energy: -60.252122
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -7.805
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: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -173.654999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.654999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.654999 (E_RNA)
where:
Base-Base interactions energy: -114.767
where: short stacking energy: -37.457
Base-Backbone interact. energy: -0.073
local terms energy: -58.814731
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -13.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -151.130839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.130839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.130839 (E_RNA)
where:
Base-Base interactions energy: -97.878
where: short stacking energy: -31.479
Base-Backbone interact. energy: -0.727
local terms energy: -52.525701
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -13.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -70.180907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.180907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.180907 (E_RNA)
where:
Base-Base interactions energy: -22.480
where: short stacking energy: -17.723
Base-Backbone interact. energy: 1.399
local terms energy: -49.099444
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -10.184
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -6.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -65.013393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.013393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.013393 (E_RNA)
where:
Base-Base interactions energy: -25.873
where: short stacking energy: -23.751
Base-Backbone interact. energy: -0.193
local terms energy: -38.948034
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -8.185
flat angles P-C4'-P energy: -4.911
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: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -54.859372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.859372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.859372 (E_RNA)
where:
Base-Base interactions energy: -17.245
where: short stacking energy: -16.574
Base-Backbone interact. energy: -0.484
local terms energy: -37.130327
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -9.327
flat angles C4'-P-C4' energy: -5.810
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: 0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -61.615335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.615335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.615335 (E_RNA)
where:
Base-Base interactions energy: -28.289
where: short stacking energy: -9.775
Base-Backbone interact. energy: -0.098
local terms energy: -33.227872
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -5.164
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: 2.490
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: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -177.808077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.808077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.808077 (E_RNA)
where:
Base-Base interactions energy: -113.186
where: short stacking energy: -50.076
Base-Backbone interact. energy: -0.510
local terms energy: -64.112418
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -181.636631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.636631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.636631 (E_RNA)
where:
Base-Base interactions energy: -119.007
where: short stacking energy: -51.386
Base-Backbone interact. energy: -0.861
local terms energy: -61.768013
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -171.052226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.052226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.052226 (E_RNA)
where:
Base-Base interactions energy: -114.111
where: short stacking energy: -44.058
Base-Backbone interact. energy: 1.149
local terms energy: -58.089984
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -176.306834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.306834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.306834 (E_RNA)
where:
Base-Base interactions energy: -121.445
where: short stacking energy: -47.522
Base-Backbone interact. energy: -0.007
local terms energy: -54.854856
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -8.487
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -5.825
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: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -161.534696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.534696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.534696 (E_RNA)
where:
Base-Base interactions energy: -103.685
where: short stacking energy: -40.684
Base-Backbone interact. energy: -0.043
local terms energy: -57.807326
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -13.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -168.752597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.752597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.752597 (E_RNA)
where:
Base-Base interactions energy: -112.455
where: short stacking energy: -45.272
Base-Backbone interact. energy: -0.004
local terms energy: -56.293201
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -8.564
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -6.206
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: 7, replica: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -78.392875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.392875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.392875 (E_RNA)
where:
Base-Base interactions energy: -34.434
where: short stacking energy: -17.772
Base-Backbone interact. energy: -0.121
local terms energy: -43.838548
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -6.887
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: 4
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -65.317921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.317921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.317921 (E_RNA)
where:
Base-Base interactions energy: -25.575
where: short stacking energy: -13.291
Base-Backbone interact. energy: -0.044
local terms energy: -39.699222
where:
bonds (distance) C4'-P energy: -7.194
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -8.053
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: 2
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -63.755124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.755124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.755124 (E_RNA)
where:
Base-Base interactions energy: -30.658
where: short stacking energy: -10.287
Base-Backbone interact. energy: -1.201
local terms energy: -31.895594
where:
bonds (distance) C4'-P energy: -9.214
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -2.832
tors. eta vs tors. theta energy: 2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -55.697890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.697890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.697890 (E_RNA)
where:
Base-Base interactions energy: -15.079
where: short stacking energy: -14.854
Base-Backbone interact. energy: -0.108
local terms energy: -40.511092
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -9.365
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -5.806
tors. eta vs tors. theta energy: -3.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -185.938719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.938719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.938719 (E_RNA)
where:
Base-Base interactions energy: -119.660
where: short stacking energy: -43.830
Base-Backbone interact. energy: -0.531
local terms energy: -65.747549
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -16.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -177.932457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.932457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.932457 (E_RNA)
where:
Base-Base interactions energy: -119.102
where: short stacking energy: -48.606
Base-Backbone interact. energy: -0.416
local terms energy: -58.414030
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -14.391
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: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -175.481276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.481276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.481276 (E_RNA)
where:
Base-Base interactions energy: -112.181
where: short stacking energy: -41.154
Base-Backbone interact. energy: -0.021
local terms energy: -63.279438
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -12.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -169.732933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.732933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.732933 (E_RNA)
where:
Base-Base interactions energy: -118.530
where: short stacking energy: -50.530
Base-Backbone interact. energy: -0.001
local terms energy: -51.201716
where:
bonds (distance) C4'-P energy: -8.411
bonds (distance) P-C4' energy: -10.511
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -6.498
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: 5, replica: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -165.906637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.906637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.906637 (E_RNA)
where:
Base-Base interactions energy: -111.237
where: short stacking energy: -46.392
Base-Backbone interact. energy: -0.394
local terms energy: -54.275303
where:
bonds (distance) C4'-P energy: -8.072
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -5.185
tors. eta vs tors. theta energy: -14.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -156.493499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.493499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.493499 (E_RNA)
where:
Base-Base interactions energy: -98.736
where: short stacking energy: -33.270
Base-Backbone interact. energy: -0.024
local terms energy: -57.733751
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -8.318
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: 7, replica: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -70.537135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.537135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.537135 (E_RNA)
where:
Base-Base interactions energy: -27.487
where: short stacking energy: -15.390
Base-Backbone interact. energy: -0.302
local terms energy: -42.748217
where:
bonds (distance) C4'-P energy: -8.767
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -8.028
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: 2
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -59.090796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.090796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.090796 (E_RNA)
where:
Base-Base interactions energy: -16.489
where: short stacking energy: -16.225
Base-Backbone interact. energy: -0.328
local terms energy: -42.273841
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -60.455640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.455640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.455640 (E_RNA)
where:
Base-Base interactions energy: -20.316
where: short stacking energy: -10.690
Base-Backbone interact. energy: -0.130
local terms energy: -40.009705
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -8.106
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: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -58.430896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.430896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.430896 (E_RNA)
where:
Base-Base interactions energy: -16.160
where: short stacking energy: -12.689
Base-Backbone interact. energy: -0.524
local terms energy: -41.747226
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -8.306
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: 4.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -178.830362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.830362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.830362 (E_RNA)
where:
Base-Base interactions energy: -115.204
where: short stacking energy: -48.965
Base-Backbone interact. energy: -0.042
local terms energy: -63.584659
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -177.764450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.764450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.764450 (E_RNA)
where:
Base-Base interactions energy: -111.321
where: short stacking energy: -43.098
Base-Backbone interact. energy: -0.009
local terms energy: -66.434780
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -16.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -174.481949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.481949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.481949 (E_RNA)
where:
Base-Base interactions energy: -111.330
where: short stacking energy: -43.364
Base-Backbone interact. energy: 1.078
local terms energy: -64.230537
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -155.883762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.883762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.883762 (E_RNA)
where:
Base-Base interactions energy: -102.276
where: short stacking energy: -35.640
Base-Backbone interact. energy: -0.124
local terms energy: -53.483729
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -9.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -138.221357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.221357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.221357 (E_RNA)
where:
Base-Base interactions energy: -79.436
where: short stacking energy: -33.381
Base-Backbone interact. energy: -0.160
local terms energy: -58.625491
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -10.373
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: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -159.353570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.353570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.353570 (E_RNA)
where:
Base-Base interactions energy: -101.315
where: short stacking energy: -39.544
Base-Backbone interact. energy: -0.001
local terms energy: -58.037101
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -9.752
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -16.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -79.466193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.466193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.466193 (E_RNA)
where:
Base-Base interactions energy: -43.978
where: short stacking energy: -24.397
Base-Backbone interact. energy: 0.443
local terms energy: -35.930718
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -7.673
flat angles C4'-P-C4' energy: -6.577
flat angles P-C4'-P energy: -4.362
tors. eta vs tors. theta energy: -6.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -63.158623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.158623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.158623 (E_RNA)
where:
Base-Base interactions energy: -22.178
where: short stacking energy: -14.913
Base-Backbone interact. energy: -0.093
local terms energy: -40.886987
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -7.784
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -2.140
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: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -60.720971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.720971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.720971 (E_RNA)
where:
Base-Base interactions energy: -27.198
where: short stacking energy: -9.905
Base-Backbone interact. energy: -0.362
local terms energy: -33.160580
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -1.235
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: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -57.811236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.811236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.811236 (E_RNA)
where:
Base-Base interactions energy: -25.552
where: short stacking energy: -13.345
Base-Backbone interact. energy: -1.096
local terms energy: -31.163465
where:
bonds (distance) C4'-P energy: -5.710
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -7.426
flat angles P-C4'-P energy: -9.345
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: 1, replica: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -184.788790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.788790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.788790 (E_RNA)
where:
Base-Base interactions energy: -122.538
where: short stacking energy: -52.564
Base-Backbone interact. energy: -0.394
local terms energy: -61.856243
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -177.844586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.844586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.844586 (E_RNA)
where:
Base-Base interactions energy: -112.842
where: short stacking energy: -48.429
Base-Backbone interact. energy: -0.312
local terms energy: -64.690786
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -11.088
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: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -171.677169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.677169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.677169 (E_RNA)
where:
Base-Base interactions energy: -109.991
where: short stacking energy: -44.540
Base-Backbone interact. energy: -0.101
local terms energy: -61.585434
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -6.282
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: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -163.238402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.238402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.238402 (E_RNA)
where:
Base-Base interactions energy: -107.310
where: short stacking energy: -37.733
Base-Backbone interact. energy: -0.790
local terms energy: -55.138796
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -12.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -121.468640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.468640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.468640 (E_RNA)
where:
Base-Base interactions energy: -66.415
where: short stacking energy: -28.315
Base-Backbone interact. energy: -0.023
local terms energy: -55.030437
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -8.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -105.026655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.026655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.026655 (E_RNA)
where:
Base-Base interactions energy: -64.713
where: short stacking energy: -24.592
Base-Backbone interact. energy: -0.046
local terms energy: -40.267665
where:
bonds (distance) C4'-P energy: -10.134
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -5.309
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -94.499867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.499867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.499867 (E_RNA)
where:
Base-Base interactions energy: -65.235
where: short stacking energy: -17.670
Base-Backbone interact. energy: 3.396
local terms energy: -32.660506
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -2.798
flat angles P-C4'-P energy: -5.742
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: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -62.245785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.245785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.245785 (E_RNA)
where:
Base-Base interactions energy: -19.229
where: short stacking energy: -19.229
Base-Backbone interact. energy: -0.018
local terms energy: -42.998380
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -56.315052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.315052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.315052 (E_RNA)
where:
Base-Base interactions energy: -21.730
where: short stacking energy: -12.348
Base-Backbone interact. energy: -0.080
local terms energy: -34.505777
where:
bonds (distance) C4'-P energy: -2.652
bonds (distance) P-C4' energy: -11.121
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -7.008
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: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -54.286601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.286601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.286601 (E_RNA)
where:
Base-Base interactions energy: -14.256
where: short stacking energy: -6.632
Base-Backbone interact. energy: -0.078
local terms energy: -39.952561
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -9.132
flat angles P-C4'-P energy: -6.590
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: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -178.330328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.330328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.330328 (E_RNA)
where:
Base-Base interactions energy: -115.565
where: short stacking energy: -46.090
Base-Backbone interact. energy: -0.016
local terms energy: -62.749891
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -176.677730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.677730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.677730 (E_RNA)
where:
Base-Base interactions energy: -116.767
where: short stacking energy: -45.597
Base-Backbone interact. energy: -0.153
local terms energy: -59.757012
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -8.567
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -10.854
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: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -177.092174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.092174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.092174 (E_RNA)
where:
Base-Base interactions energy: -112.207
where: short stacking energy: -49.077
Base-Backbone interact. energy: -0.245
local terms energy: -64.640556
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -18.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -128.304690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.304690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.304690 (E_RNA)
where:
Base-Base interactions energy: -82.686
where: short stacking energy: -28.231
Base-Backbone interact. energy: -0.175
local terms energy: -45.443624
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -9.010
flat angles P-C4'-P energy: -2.343
tors. eta vs tors. theta energy: -7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -140.588344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.588344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.588344 (E_RNA)
where:
Base-Base interactions energy: -77.909
where: short stacking energy: -36.993
Base-Backbone interact. energy: 0.017
local terms energy: -62.695842
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -14.290
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: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -98.554863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.554863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.554863 (E_RNA)
where:
Base-Base interactions energy: -63.486
where: short stacking energy: -16.784
Base-Backbone interact. energy: -0.057
local terms energy: -35.011301
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -1.928
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: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -73.512354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.512354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.512354 (E_RNA)
where:
Base-Base interactions energy: -33.504
where: short stacking energy: -14.890
Base-Backbone interact. energy: -0.157
local terms energy: -39.851883
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -6.017
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: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -62.148177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.148177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.148177 (E_RNA)
where:
Base-Base interactions energy: -27.322
where: short stacking energy: -11.547
Base-Backbone interact. energy: -0.229
local terms energy: -34.597793
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -0.448
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: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -105.426197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.426197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.426197 (E_RNA)
where:
Base-Base interactions energy: -57.695
where: short stacking energy: -25.961
Base-Backbone interact. energy: -0.076
local terms energy: -47.655390
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -6.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -56.667296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.667296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.667296 (E_RNA)
where:
Base-Base interactions energy: -16.146
where: short stacking energy: -16.146
Base-Backbone interact. energy: -0.005
local terms energy: -40.517155
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -8.702
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -5.356
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: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -183.328434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.328434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.328434 (E_RNA)
where:
Base-Base interactions energy: -120.575
where: short stacking energy: -49.554
Base-Backbone interact. energy: -0.004
local terms energy: -62.749570
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -7.853
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: 3
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -177.979178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.979178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.979178 (E_RNA)
where:
Base-Base interactions energy: -118.502
where: short stacking energy: -48.159
Base-Backbone interact. energy: -0.055
local terms energy: -59.421437
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -6.318
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: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -176.051527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.051527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.051527 (E_RNA)
where:
Base-Base interactions energy: -114.805
where: short stacking energy: -45.529
Base-Backbone interact. energy: -0.688
local terms energy: -60.558706
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -15.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -161.163730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.163730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.163730 (E_RNA)
where:
Base-Base interactions energy: -107.165
where: short stacking energy: -41.554
Base-Backbone interact. energy: -0.034
local terms energy: -53.963968
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -11.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -105.917508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.917508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.917508 (E_RNA)
where:
Base-Base interactions energy: -57.987
where: short stacking energy: -21.150
Base-Backbone interact. energy: -0.062
local terms energy: -47.868187
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -82.456500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.456500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.456500 (E_RNA)
where:
Base-Base interactions energy: -39.611
where: short stacking energy: -17.622
Base-Backbone interact. energy: -0.135
local terms energy: -42.711267
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -1.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -74.783582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.783582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.783582 (E_RNA)
where:
Base-Base interactions energy: -29.076
where: short stacking energy: -17.306
Base-Backbone interact. energy: -0.188
local terms energy: -45.519203
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -10.947
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: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -97.153717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.153717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.153717 (E_RNA)
where:
Base-Base interactions energy: -56.191
where: short stacking energy: -22.419
Base-Backbone interact. energy: -1.704
local terms energy: -39.258450
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -6.719
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -59.156655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.156655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.156655 (E_RNA)
where:
Base-Base interactions energy: -14.559
where: short stacking energy: -8.201
Base-Backbone interact. energy: 0.470
local terms energy: -45.068144
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -9.209
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: 5
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -64.081848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.081848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.081848 (E_RNA)
where:
Base-Base interactions energy: -21.162
where: short stacking energy: -21.028
Base-Backbone interact. energy: -0.034
local terms energy: -42.885987
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -5.723
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: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -180.096080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.096080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.096080 (E_RNA)
where:
Base-Base interactions energy: -118.089
where: short stacking energy: -47.000
Base-Backbone interact. energy: -0.430
local terms energy: -61.577468
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -11.192
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: 2, replica: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -172.631243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.631243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.631243 (E_RNA)
where:
Base-Base interactions energy: -112.637
where: short stacking energy: -43.876
Base-Backbone interact. energy: -0.001
local terms energy: -59.993629
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -11.118
flat angles P-C4'-P energy: -10.614
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: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -175.285209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.285209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.285209 (E_RNA)
where:
Base-Base interactions energy: -112.676
where: short stacking energy: -46.256
Base-Backbone interact. energy: -0.081
local terms energy: -62.528164
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -17.344
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: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -181.387113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.387113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.387113 (E_RNA)
where:
Base-Base interactions energy: -118.678
where: short stacking energy: -46.123
Base-Backbone interact. energy: -0.002
local terms energy: -62.707044
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -74.525226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.525226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.525226 (E_RNA)
where:
Base-Base interactions energy: -28.560
where: short stacking energy: -16.655
Base-Backbone interact. energy: -1.021
local terms energy: -44.943798
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -7.056
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: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -87.441443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.441443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.441443 (E_RNA)
where:
Base-Base interactions energy: -39.109
where: short stacking energy: -23.882
Base-Backbone interact. energy: 1.480
local terms energy: -49.813251
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -73.550500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.550500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.550500 (E_RNA)
where:
Base-Base interactions energy: -33.018
where: short stacking energy: -19.266
Base-Backbone interact. energy: -0.104
local terms energy: -40.428440
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: 2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -63.911253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.911253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.911253 (E_RNA)
where:
Base-Base interactions energy: -19.267
where: short stacking energy: -19.267
Base-Backbone interact. energy: -0.126
local terms energy: -44.518203
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -60.947766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.947766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.947766 (E_RNA)
where:
Base-Base interactions energy: -20.196
where: short stacking energy: -14.415
Base-Backbone interact. energy: -0.316
local terms energy: -40.436009
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: 0.786
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: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -65.656898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.656898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.656898 (E_RNA)
where:
Base-Base interactions energy: -31.203
where: short stacking energy: -11.787
Base-Backbone interact. energy: -0.194
local terms energy: -34.258994
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -2.954
flat angles P-C4'-P energy: -4.999
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: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -176.845226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.845226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.845226 (E_RNA)
where:
Base-Base interactions energy: -114.258
where: short stacking energy: -44.800
Base-Backbone interact. energy: -0.103
local terms energy: -62.483688
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -11.434
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: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -175.776826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.776826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.776826 (E_RNA)
where:
Base-Base interactions energy: -117.108
where: short stacking energy: -45.390
Base-Backbone interact. energy: -0.014
local terms energy: -58.654334
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -6.587
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: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -176.838295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.838295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.838295 (E_RNA)
where:
Base-Base interactions energy: -109.533
where: short stacking energy: -42.467
Base-Backbone interact. energy: -0.638
local terms energy: -66.667569
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -17.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -169.362439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.362439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.362439 (E_RNA)
where:
Base-Base interactions energy: -111.774
where: short stacking energy: -46.863
Base-Backbone interact. energy: -0.007
local terms energy: -57.581668
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -12.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -88.575524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.575524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.575524 (E_RNA)
where:
Base-Base interactions energy: -37.132
where: short stacking energy: -31.305
Base-Backbone interact. energy: -0.035
local terms energy: -51.408750
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -91.038548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.038548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.038548 (E_RNA)
where:
Base-Base interactions energy: -57.858
where: short stacking energy: -16.441
Base-Backbone interact. energy: -0.086
local terms energy: -33.094884
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -2.799
tors. eta vs tors. theta energy: -0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -73.810260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.810260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.810260 (E_RNA)
where:
Base-Base interactions energy: -31.193
where: short stacking energy: -16.243
Base-Backbone interact. energy: -0.133
local terms energy: -42.484105
where:
bonds (distance) C4'-P energy: -7.707
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -8.452
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: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -71.479645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.479645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.479645 (E_RNA)
where:
Base-Base interactions energy: -24.149
where: short stacking energy: -23.499
Base-Backbone interact. energy: -0.092
local terms energy: -47.239008
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -6.511
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: 9, replica: 2
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -64.530484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.530484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.530484 (E_RNA)
where:
Base-Base interactions energy: -31.196
where: short stacking energy: -18.035
Base-Backbone interact. energy: -0.151
local terms energy: -33.183003
where:
bonds (distance) C4'-P energy: -6.879
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -5.800
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -1.193
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: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -59.257322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.257322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.257322 (E_RNA)
where:
Base-Base interactions energy: -17.092
where: short stacking energy: -9.970
Base-Backbone interact. energy: -0.165
local terms energy: -41.999810
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -5.859
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: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -183.543468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.543468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.543468 (E_RNA)
where:
Base-Base interactions energy: -120.313
where: short stacking energy: -50.577
Base-Backbone interact. energy: -0.003
local terms energy: -63.227628
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -181.298136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.298136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.298136 (E_RNA)
where:
Base-Base interactions energy: -113.802
where: short stacking energy: -51.853
Base-Backbone interact. energy: -0.010
local terms energy: -67.486230
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -154.770002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.770002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.770002 (E_RNA)
where:
Base-Base interactions energy: -107.184
where: short stacking energy: -38.173
Base-Backbone interact. energy: -0.054
local terms energy: -47.531907
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -6.924
flat angles P-C4'-P energy: -4.015
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -174.198789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.198789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.198789 (E_RNA)
where:
Base-Base interactions energy: -114.763
where: short stacking energy: -46.190
Base-Backbone interact. energy: -0.048
local terms energy: -59.387136
where:
bonds (distance) C4'-P energy: -9.439
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -15.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -121.265280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.265280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.265280 (E_RNA)
where:
Base-Base interactions energy: -72.155
where: short stacking energy: -20.012
Base-Backbone interact. energy: -0.199
local terms energy: -48.911193
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -9.528
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: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -74.511533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.511533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.511533 (E_RNA)
where:
Base-Base interactions energy: -31.409
where: short stacking energy: -13.064
Base-Backbone interact. energy: -0.553
local terms energy: -42.549684
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: 1.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -79.057833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.057833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.057833 (E_RNA)
where:
Base-Base interactions energy: -45.731
where: short stacking energy: -17.072
Base-Backbone interact. energy: -0.224
local terms energy: -33.102312
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -4.839
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: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -61.136467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.136467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.136467 (E_RNA)
where:
Base-Base interactions energy: -18.289
where: short stacking energy: -11.054
Base-Backbone interact. energy: -0.161
local terms energy: -42.687022
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -4.217
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: 9, replica: 4
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -74.871059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.871059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.871059 (E_RNA)
where:
Base-Base interactions energy: -45.902
where: short stacking energy: -10.696
Base-Backbone interact. energy: -0.529
local terms energy: -28.440114
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -7.027
flat angles C4'-P-C4' energy: -6.555
flat angles P-C4'-P energy: -2.166
tors. eta vs tors. theta energy: -1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -60.933104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.933104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.933104 (E_RNA)
where:
Base-Base interactions energy: -19.236
where: short stacking energy: -12.301
Base-Backbone interact. energy: -0.037
local terms energy: -41.659565
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -10.501
flat angles C4'-P-C4' energy: -7.868
flat angles P-C4'-P energy: -7.109
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: 1, replica: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -185.359264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.359264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.359264 (E_RNA)
where:
Base-Base interactions energy: -117.919
where: short stacking energy: -50.924
Base-Backbone interact. energy: -0.007
local terms energy: -67.433343
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -9.348
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: 2, replica: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -179.338569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.338569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.338569 (E_RNA)
where:
Base-Base interactions energy: -117.146
where: short stacking energy: -48.679
Base-Backbone interact. energy: -0.042
local terms energy: -62.150645
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -16.157
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: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -164.623333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.623333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.623333 (E_RNA)
where:
Base-Base interactions energy: -108.816
where: short stacking energy: -37.300
Base-Backbone interact. energy: -0.102
local terms energy: -55.705830
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -11.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -169.275034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.275034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.275034 (E_RNA)
where:
Base-Base interactions energy: -114.565
where: short stacking energy: -37.981
Base-Backbone interact. energy: 1.109
local terms energy: -55.819728
where:
bonds (distance) C4'-P energy: -9.199
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -10.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -123.177585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.177585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.177585 (E_RNA)
where:
Base-Base interactions energy: -77.728
where: short stacking energy: -30.005
Base-Backbone interact. energy: -0.025
local terms energy: -45.423982
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -96.053838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.053838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.053838 (E_RNA)
where:
Base-Base interactions energy: -50.230
where: short stacking energy: -21.817
Base-Backbone interact. energy: -0.228
local terms energy: -45.595548
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -6.063
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: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -65.009043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.009043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.009043 (E_RNA)
where:
Base-Base interactions energy: -32.491
where: short stacking energy: -9.755
Base-Backbone interact. energy: -0.071
local terms energy: -32.446785
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -6.614
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: 3.145
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: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -64.344104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.344104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.344104 (E_RNA)
where:
Base-Base interactions energy: -27.614
where: short stacking energy: -9.074
Base-Backbone interact. energy: -0.849
local terms energy: -35.880661
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -7.935
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: 2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -63.216334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.216334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.216334 (E_RNA)
where:
Base-Base interactions energy: -23.686
where: short stacking energy: -23.686
Base-Backbone interact. energy: -0.041
local terms energy: -39.488963
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -8.718
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -2.856
tors. eta vs tors. theta energy: -5.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -67.725101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.725101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.725101 (E_RNA)
where:
Base-Base interactions energy: -20.169
where: short stacking energy: -15.210
Base-Backbone interact. energy: -0.655
local terms energy: -46.901582
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -183.054906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.054906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.054906 (E_RNA)
where:
Base-Base interactions energy: -119.206
where: short stacking energy: -47.489
Base-Backbone interact. energy: -0.021
local terms energy: -63.827835
where:
bonds (distance) C4'-P energy: -7.397
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -17.216
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: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -177.432818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.432818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.432818 (E_RNA)
where:
Base-Base interactions energy: -117.132
where: short stacking energy: -47.979
Base-Backbone interact. energy: -0.406
local terms energy: -59.895217
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -14.099
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: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -176.944594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.944594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.944594 (E_RNA)
where:
Base-Base interactions energy: -115.833
where: short stacking energy: -50.418
Base-Backbone interact. energy: -0.003
local terms energy: -61.108834
where:
bonds (distance) C4'-P energy: -9.372
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -17.704
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: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -170.995951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.995951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.995951 (E_RNA)
where:
Base-Base interactions energy: -115.216
where: short stacking energy: -37.690
Base-Backbone interact. energy: -0.282
local terms energy: -55.498442
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -12.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -161.037412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.037412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.037412 (E_RNA)
where:
Base-Base interactions energy: -101.044
where: short stacking energy: -42.866
Base-Backbone interact. energy: -2.136
local terms energy: -57.856744
where:
bonds (distance) C4'-P energy: -8.710
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -124.478738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.478738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.478738 (E_RNA)
where:
Base-Base interactions energy: -76.909
where: short stacking energy: -31.527
Base-Backbone interact. energy: -0.093
local terms energy: -47.476384
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -0.312
tors. eta vs tors. theta energy: -10.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -61.022722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.022722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.022722 (E_RNA)
where:
Base-Base interactions energy: -22.170
where: short stacking energy: -14.009
Base-Backbone interact. energy: -0.386
local terms energy: -38.466795
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -9.460
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -75.420605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.420605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.420605 (E_RNA)
where:
Base-Base interactions energy: -33.130
where: short stacking energy: -22.022
Base-Backbone interact. energy: 1.093
local terms energy: -43.384238
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -6.260
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -4.066
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: 2
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -64.430791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.430791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.430791 (E_RNA)
where:
Base-Base interactions energy: -25.099
where: short stacking energy: -15.181
Base-Backbone interact. energy: -0.082
local terms energy: -39.249027
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -8.569
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: 1.124
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: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -59.851067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.851067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.851067 (E_RNA)
where:
Base-Base interactions energy: -13.404
where: short stacking energy: -6.067
Base-Backbone interact. energy: 0.730
local terms energy: -47.177164
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: 0.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -182.235856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.235856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.235856 (E_RNA)
where:
Base-Base interactions energy: -114.470
where: short stacking energy: -41.826
Base-Backbone interact. energy: -0.226
local terms energy: -67.540350
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -177.967567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.967567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.967567 (E_RNA)
where:
Base-Base interactions energy: -113.657
where: short stacking energy: -46.741
Base-Backbone interact. energy: -0.076
local terms energy: -64.234501
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -7.674
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: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -172.593008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.593008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.593008 (E_RNA)
where:
Base-Base interactions energy: -113.893
where: short stacking energy: -41.833
Base-Backbone interact. energy: -0.040
local terms energy: -58.660151
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -8.444
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: 4, replica: 5
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -172.943973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.943973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.943973 (E_RNA)
where:
Base-Base interactions energy: -115.761
where: short stacking energy: -41.441
Base-Backbone interact. energy: -0.012
local terms energy: -57.171117
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -16.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -164.359442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.359442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.359442 (E_RNA)
where:
Base-Base interactions energy: -106.953
where: short stacking energy: -40.609
Base-Backbone interact. energy: -0.079
local terms energy: -57.327718
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -13.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -120.217648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.217648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.217648 (E_RNA)
where:
Base-Base interactions energy: -70.513
where: short stacking energy: -30.452
Base-Backbone interact. energy: -0.004
local terms energy: -49.700867
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -5.711
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -10.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -65.975141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.975141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.975141 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -22.755
Base-Backbone interact. energy: -0.366
local terms energy: -35.831756
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -8.979
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -1.826
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: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -120.487572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.487572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.487572 (E_RNA)
where:
Base-Base interactions energy: -75.177
where: short stacking energy: -16.821
Base-Backbone interact. energy: -0.127
local terms energy: -45.183880
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -7.234
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -60.322708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.322708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.322708 (E_RNA)
where:
Base-Base interactions energy: -23.712
where: short stacking energy: -14.280
Base-Backbone interact. energy: -0.185
local terms energy: -36.425627
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -10.103
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -3.832
tors. eta vs tors. theta energy: -0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -56.069655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.069655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.069655 (E_RNA)
where:
Base-Base interactions energy: -20.345
where: short stacking energy: -9.820
Base-Backbone interact. energy: -0.175
local terms energy: -35.549552
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -6.623
flat angles P-C4'-P energy: -6.454
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: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -180.166738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.166738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.166738 (E_RNA)
where:
Base-Base interactions energy: -112.488
where: short stacking energy: -44.737
Base-Backbone interact. energy: -0.001
local terms energy: -67.677710
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -17.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -175.047642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.047642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.047642 (E_RNA)
where:
Base-Base interactions energy: -115.044
where: short stacking energy: -48.424
Base-Backbone interact. energy: 1.440
local terms energy: -61.443714
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -9.438
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -7.788
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: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -172.753977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.753977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.753977 (E_RNA)
where:
Base-Base interactions energy: -112.852
where: short stacking energy: -45.014
Base-Backbone interact. energy: -0.625
local terms energy: -59.277261
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -10.258
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: 4, replica: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -176.890694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.890694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.890694 (E_RNA)
where:
Base-Base interactions energy: -113.859
where: short stacking energy: -44.255
Base-Backbone interact. energy: -0.284
local terms energy: -62.747656
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -158.955043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.955043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.955043 (E_RNA)
where:
Base-Base interactions energy: -100.045
where: short stacking energy: -35.800
Base-Backbone interact. energy: -0.101
local terms energy: -58.809188
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -14.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -110.447511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.447511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.447511 (E_RNA)
where:
Base-Base interactions energy: -61.590
where: short stacking energy: -28.129
Base-Backbone interact. energy: -0.005
local terms energy: -48.852425
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -8.771
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -9.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -103.684249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.684249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.684249 (E_RNA)
where:
Base-Base interactions energy: -57.331
where: short stacking energy: -30.186
Base-Backbone interact. energy: 0.187
local terms energy: -46.540380
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -8.768
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: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -65.367273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.367273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.367273 (E_RNA)
where:
Base-Base interactions energy: -18.304
where: short stacking energy: -18.304
Base-Backbone interact. energy: -0.038
local terms energy: -47.026047
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: -6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -66.444557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.444557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.444557 (E_RNA)
where:
Base-Base interactions energy: -26.087
where: short stacking energy: -19.344
Base-Backbone interact. energy: -0.112
local terms energy: -40.244665
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -9.863
flat angles C4'-P-C4' energy: -5.957
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -56.895452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.895452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.895452 (E_RNA)
where:
Base-Base interactions energy: -24.072
where: short stacking energy: -12.272
Base-Backbone interact. energy: -0.294
local terms energy: -32.529590
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -2.345
flat angles P-C4'-P energy: -2.207
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: 1, replica: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -182.013464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.013464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.013464 (E_RNA)
where:
Base-Base interactions energy: -117.762
where: short stacking energy: -49.192
Base-Backbone interact. energy: 0.212
local terms energy: -64.464077
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -12.067
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: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -180.832918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.832918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.832918 (E_RNA)
where:
Base-Base interactions energy: -116.074
where: short stacking energy: -46.738
Base-Backbone interact. energy: -0.306
local terms energy: -64.452766
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -9.232
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: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -175.852062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.852062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.852062 (E_RNA)
where:
Base-Base interactions energy: -109.452
where: short stacking energy: -43.011
Base-Backbone interact. energy: -0.160
local terms energy: -66.240429
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -15.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -169.827939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.827939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.827939 (E_RNA)
where:
Base-Base interactions energy: -108.402
where: short stacking energy: -39.197
Base-Backbone interact. energy: -0.097
local terms energy: -61.329708
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -17.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -148.422099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.422099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.422099 (E_RNA)
where:
Base-Base interactions energy: -87.765
where: short stacking energy: -31.397
Base-Backbone interact. energy: -0.136
local terms energy: -60.521383
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -11.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -104.798194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.798194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.798194 (E_RNA)
where:
Base-Base interactions energy: -58.209
where: short stacking energy: -20.278
Base-Backbone interact. energy: -0.449
local terms energy: -46.139793
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -5.267
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: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -79.947830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.947830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.947830 (E_RNA)
where:
Base-Base interactions energy: -23.804
where: short stacking energy: -17.176
Base-Backbone interact. energy: -0.108
local terms energy: -56.035336
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -8.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -65.628122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.628122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.628122 (E_RNA)
where:
Base-Base interactions energy: -20.450
where: short stacking energy: -8.310
Base-Backbone interact. energy: -0.052
local terms energy: -45.126777
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: 0.925
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: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -59.224390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.224390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.224390 (E_RNA)
where:
Base-Base interactions energy: -13.773
where: short stacking energy: -7.082
Base-Backbone interact. energy: -1.132
local terms energy: -44.319801
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: 0.690
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: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -64.361161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.361161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.361161 (E_RNA)
where:
Base-Base interactions energy: -29.693
where: short stacking energy: -6.647
Base-Backbone interact. energy: -0.245
local terms energy: -34.422753
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -4.608
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: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -182.455781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.455781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.455781 (E_RNA)
where:
Base-Base interactions energy: -118.735
where: short stacking energy: -48.512
Base-Backbone interact. energy: -0.606
local terms energy: -63.114627
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -9.451
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: 2, replica: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -182.301485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.301485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.301485 (E_RNA)
where:
Base-Base interactions energy: -115.314
where: short stacking energy: -47.966
Base-Backbone interact. energy: -0.011
local terms energy: -66.977295
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -17.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -175.456419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.456419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.456419 (E_RNA)
where:
Base-Base interactions energy: -113.055
where: short stacking energy: -42.624
Base-Backbone interact. energy: -0.039
local terms energy: -62.362110
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -8.214
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: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -166.849428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.849428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.849428 (E_RNA)
where:
Base-Base interactions energy: -103.936
where: short stacking energy: -40.574
Base-Backbone interact. energy: -0.001
local terms energy: -62.913039
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -16.690
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: 5, replica: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -160.494889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.494889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.494889 (E_RNA)
where:
Base-Base interactions energy: -103.452
where: short stacking energy: -35.649
Base-Backbone interact. energy: -0.149
local terms energy: -56.893668
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -9.441
flat angles C4'-P-C4' energy: -9.365
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -17.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -110.875698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.875698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.875698 (E_RNA)
where:
Base-Base interactions energy: -63.225
where: short stacking energy: -27.512
Base-Backbone interact. energy: -0.914
local terms energy: -46.737055
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -7.721
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: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -72.986777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.986777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.986777 (E_RNA)
where:
Base-Base interactions energy: -34.742
where: short stacking energy: -24.882
Base-Backbone interact. energy: -1.233
local terms energy: -37.011845
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -3.878
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: 392
Temperature: 1.250000
Total energy: -60.786090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.786090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.786090 (E_RNA)
where:
Base-Base interactions energy: -28.710
where: short stacking energy: -20.106
Base-Backbone interact. energy: -0.109
local terms energy: -31.966993
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: 1.382
tors. eta vs tors. theta energy: -1.731
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: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -71.560479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.560479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.560479 (E_RNA)
where:
Base-Base interactions energy: -33.159
where: short stacking energy: -26.019
Base-Backbone interact. energy: -0.118
local terms energy: -38.282795
where:
bonds (distance) C4'-P energy: -7.679
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -7.101
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -67.267029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.267029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.267029 (E_RNA)
where:
Base-Base interactions energy: -31.270
where: short stacking energy: -18.852
Base-Backbone interact. energy: -0.201
local terms energy: -35.795690
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -7.297
flat angles P-C4'-P energy: -2.736
tors. eta vs tors. theta energy: 0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -179.847433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.847433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.847433 (E_RNA)
where:
Base-Base interactions energy: -116.960
where: short stacking energy: -49.131
Base-Backbone interact. energy: -1.061
local terms energy: -61.825662
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -182.642190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.642190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.642190 (E_RNA)
where:
Base-Base interactions energy: -117.433
where: short stacking energy: -44.275
Base-Backbone interact. energy: 0.271
local terms energy: -65.479806
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -17.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -168.874369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.874369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.874369 (E_RNA)
where:
Base-Base interactions energy: -113.817
where: short stacking energy: -47.313
Base-Backbone interact. energy: -0.014
local terms energy: -55.043056
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -7.739
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -178.773714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.773714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.773714 (E_RNA)
where:
Base-Base interactions energy: -116.355
where: short stacking energy: -48.873
Base-Backbone interact. energy: -0.012
local terms energy: -62.407340
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -10.445
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -12.439
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: 5, replica: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -142.826707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.826707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.826707 (E_RNA)
where:
Base-Base interactions energy: -91.861
where: short stacking energy: -35.421
Base-Backbone interact. energy: 0.153
local terms energy: -51.118492
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -6.395
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -10.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -84.741571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.741571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.741571 (E_RNA)
where:
Base-Base interactions energy: -48.327
where: short stacking energy: -15.242
Base-Backbone interact. energy: -0.171
local terms energy: -36.243849
where:
bonds (distance) C4'-P energy: -11.123
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -1.244
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: 7, replica: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -86.235933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.235933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.235933 (E_RNA)
where:
Base-Base interactions energy: -38.540
where: short stacking energy: -15.256
Base-Backbone interact. energy: -0.179
local terms energy: -47.517034
where:
bonds (distance) C4'-P energy: -9.976
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -70.414233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.414233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.414233 (E_RNA)
where:
Base-Base interactions energy: -28.160
where: short stacking energy: -22.558
Base-Backbone interact. energy: -0.086
local terms energy: -42.167412
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -7.325
flat angles P-C4'-P energy: -6.401
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: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -60.659816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.659816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.659816 (E_RNA)
where:
Base-Base interactions energy: -30.200
where: short stacking energy: -16.242
Base-Backbone interact. energy: -0.556
local terms energy: -29.903701
where:
bonds (distance) C4'-P energy: -6.934
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -5.083
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: 1.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -55.556411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.556411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.556411 (E_RNA)
where:
Base-Base interactions energy: -18.070
where: short stacking energy: -7.186
Base-Backbone interact. energy: -0.235
local terms energy: -37.250795
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -10.613
flat angles P-C4'-P energy: -3.596
tors. eta vs tors. theta energy: 1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -177.876440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.876440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.876440 (E_RNA)
where:
Base-Base interactions energy: -116.106
where: short stacking energy: -42.611
Base-Backbone interact. energy: -0.240
local terms energy: -61.530561
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -16.671
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: 394
Temperature: 0.950000
Total energy: -176.940778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.940778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.940778 (E_RNA)
where:
Base-Base interactions energy: -120.174
where: short stacking energy: -40.141
Base-Backbone interact. energy: -0.283
local terms energy: -56.483422
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -4.376
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -173.420787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.420787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.420787 (E_RNA)
where:
Base-Base interactions energy: -115.579
where: short stacking energy: -43.191
Base-Backbone interact. energy: -0.004
local terms energy: -57.837739
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -8.087
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -17.573
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: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -171.155514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.155514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.155514 (E_RNA)
where:
Base-Base interactions energy: -113.449
where: short stacking energy: -43.727
Base-Backbone interact. energy: -1.200
local terms energy: -56.506496
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -9.855
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -9.780
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: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -122.278907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.278907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.278907 (E_RNA)
where:
Base-Base interactions energy: -77.920
where: short stacking energy: -32.635
Base-Backbone interact. energy: -0.027
local terms energy: -44.331915
where:
bonds (distance) C4'-P energy: -7.037
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -6.733
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -10.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -87.522055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.522055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.522055 (E_RNA)
where:
Base-Base interactions energy: -36.546
where: short stacking energy: -16.618
Base-Backbone interact. energy: -0.266
local terms energy: -50.710480
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -70.603076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.603076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.603076 (E_RNA)
where:
Base-Base interactions energy: -35.526
where: short stacking energy: -22.669
Base-Backbone interact. energy: -0.453
local terms energy: -34.623935
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -0.193
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: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -64.135131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.135131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.135131 (E_RNA)
where:
Base-Base interactions energy: -23.132
where: short stacking energy: -18.593
Base-Backbone interact. energy: 0.565
local terms energy: -41.568177
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -8.735
flat angles P-C4'-P energy: -5.870
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: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -64.194623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.194623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.194623 (E_RNA)
where:
Base-Base interactions energy: -22.665
where: short stacking energy: -22.665
Base-Backbone interact. energy: -0.124
local terms energy: -41.405269
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -7.680
flat angles C4'-P-C4' energy: -9.689
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -57.427605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.427605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.427605 (E_RNA)
where:
Base-Base interactions energy: -22.408
where: short stacking energy: -11.117
Base-Backbone interact. energy: -0.308
local terms energy: -34.711769
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -8.272
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: 2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -176.637988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.637988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.637988 (E_RNA)
where:
Base-Base interactions energy: -115.428
where: short stacking energy: -44.605
Base-Backbone interact. energy: -0.017
local terms energy: -61.193534
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -178.231875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.231875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.231875 (E_RNA)
where:
Base-Base interactions energy: -118.614
where: short stacking energy: -38.842
Base-Backbone interact. energy: -0.153
local terms energy: -59.464578
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -172.442991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.442991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.442991 (E_RNA)
where:
Base-Base interactions energy: -107.716
where: short stacking energy: -41.743
Base-Backbone interact. energy: -0.629
local terms energy: -64.097533
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -14.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -174.811796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.811796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.811796 (E_RNA)
where:
Base-Base interactions energy: -117.106
where: short stacking energy: -47.102
Base-Backbone interact. energy: -0.002
local terms energy: -57.703891
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -9.596
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -133.311289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.311289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.311289 (E_RNA)
where:
Base-Base interactions energy: -82.172
where: short stacking energy: -36.284
Base-Backbone interact. energy: -0.001
local terms energy: -51.137833
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -6.644
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -81.492112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.492112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.492112 (E_RNA)
where:
Base-Base interactions energy: -35.653
where: short stacking energy: -16.277
Base-Backbone interact. energy: -0.097
local terms energy: -45.742643
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -4.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -68.269891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.269891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.269891 (E_RNA)
where:
Base-Base interactions energy: -24.101
where: short stacking energy: -18.626
Base-Backbone interact. energy: -0.218
local terms energy: -43.951068
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: 2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -65.201844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.201844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.201844 (E_RNA)
where:
Base-Base interactions energy: -31.890
where: short stacking energy: -12.954
Base-Backbone interact. energy: -0.244
local terms energy: -33.068334
where:
bonds (distance) C4'-P energy: -9.438
bonds (distance) P-C4' energy: -8.563
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -0.104
tors. eta vs tors. theta energy: -5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -57.081853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.081853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.081853 (E_RNA)
where:
Base-Base interactions energy: -19.097
where: short stacking energy: -19.097
Base-Backbone interact. energy: -0.164
local terms energy: -37.820569
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -8.411
flat angles P-C4'-P energy: -8.147
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: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -63.187384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.187384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.187384 (E_RNA)
where:
Base-Base interactions energy: -23.485
where: short stacking energy: -14.814
Base-Backbone interact. energy: -0.105
local terms energy: -39.597683
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -9.143
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -1.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -180.290016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.290016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.290016 (E_RNA)
where:
Base-Base interactions energy: -118.434
where: short stacking energy: -50.513
Base-Backbone interact. energy: -0.007
local terms energy: -61.849518
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -185.886903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.886903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.886903 (E_RNA)
where:
Base-Base interactions energy: -122.167
where: short stacking energy: -46.893
Base-Backbone interact. energy: -0.105
local terms energy: -63.615210
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -16.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -179.871982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.871982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.871982 (E_RNA)
where:
Base-Base interactions energy: -116.295
where: short stacking energy: -50.459
Base-Backbone interact. energy: -0.041
local terms energy: -63.535977
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -169.375306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.375306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.375306 (E_RNA)
where:
Base-Base interactions energy: -111.795
where: short stacking energy: -44.145
Base-Backbone interact. energy: -0.064
local terms energy: -57.516185
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -10.640
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: 5, replica: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -141.546533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.546533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.546533 (E_RNA)
where:
Base-Base interactions energy: -91.336
where: short stacking energy: -32.075
Base-Backbone interact. energy: -0.120
local terms energy: -50.090365
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -1.669
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -82.237140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.237140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.237140 (E_RNA)
where:
Base-Base interactions energy: -37.880
where: short stacking energy: -24.523
Base-Backbone interact. energy: 0.274
local terms energy: -44.631401
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -1.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -62.103593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.103593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.103593 (E_RNA)
where:
Base-Base interactions energy: -16.764
where: short stacking energy: -8.084
Base-Backbone interact. energy: -0.028
local terms energy: -45.312528
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -7.258
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -65.419192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.419192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.419192 (E_RNA)
where:
Base-Base interactions energy: -20.773
where: short stacking energy: -8.936
Base-Backbone interact. energy: -0.108
local terms energy: -44.537920
where:
bonds (distance) C4'-P energy: -11.028
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -8.314
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: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -65.572074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.572074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.572074 (E_RNA)
where:
Base-Base interactions energy: -28.420
where: short stacking energy: -14.117
Base-Backbone interact. energy: -0.063
local terms energy: -37.088958
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -2.115
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: 10, replica: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -67.326051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.326051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.326051 (E_RNA)
where:
Base-Base interactions energy: -28.422
where: short stacking energy: -12.161
Base-Backbone interact. energy: -0.094
local terms energy: -38.810857
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: 0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -181.043185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.043185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.043185 (E_RNA)
where:
Base-Base interactions energy: -118.555
where: short stacking energy: -42.020
Base-Backbone interact. energy: -0.035
local terms energy: -62.453007
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -15.161
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: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -177.969498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.969498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.969498 (E_RNA)
where:
Base-Base interactions energy: -115.907
where: short stacking energy: -43.977
Base-Backbone interact. energy: -0.003
local terms energy: -62.059734
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -9.393
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: 3, replica: 7
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -178.220964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.220964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.220964 (E_RNA)
where:
Base-Base interactions energy: -121.173
where: short stacking energy: -42.713
Base-Backbone interact. energy: -0.025
local terms energy: -57.023320
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -6.071
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: 4, replica: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -165.063297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.063297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.063297 (E_RNA)
where:
Base-Base interactions energy: -104.802
where: short stacking energy: -36.874
Base-Backbone interact. energy: -0.934
local terms energy: -59.327204
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -11.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -134.131849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.131849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.131849 (E_RNA)
where:
Base-Base interactions energy: -85.704
where: short stacking energy: -28.761
Base-Backbone interact. energy: -0.121
local terms energy: -48.306900
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -1.751
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -80.388542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.388542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.388542 (E_RNA)
where:
Base-Base interactions energy: -40.203
where: short stacking energy: -11.907
Base-Backbone interact. energy: -1.099
local terms energy: -39.086162
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -8.527
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: 1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -72.326375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.326375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.326375 (E_RNA)
where:
Base-Base interactions energy: -32.377
where: short stacking energy: -14.415
Base-Backbone interact. energy: -0.040
local terms energy: -39.909193
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -8.216
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -65.798237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.798237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.798237 (E_RNA)
where:
Base-Base interactions energy: -25.433
where: short stacking energy: -8.796
Base-Backbone interact. energy: -0.658
local terms energy: -39.707768
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -8.999
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: 0.333
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: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -69.102035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.102035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.102035 (E_RNA)
where:
Base-Base interactions energy: -29.547
where: short stacking energy: -16.179
Base-Backbone interact. energy: 0.769
local terms energy: -40.323698
where:
bonds (distance) C4'-P energy: -8.135
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -65.025787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.025787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.025787 (E_RNA)
where:
Base-Base interactions energy: -25.475
where: short stacking energy: -15.157
Base-Backbone interact. energy: -0.560
local terms energy: -38.990955
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -8.384
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: 0.007
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: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -180.484994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.484994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.484994 (E_RNA)
where:
Base-Base interactions energy: -117.570
where: short stacking energy: -38.540
Base-Backbone interact. energy: -0.446
local terms energy: -62.468568
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -170.271727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.271727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.271727 (E_RNA)
where:
Base-Base interactions energy: -111.251
where: short stacking energy: -40.685
Base-Backbone interact. energy: 1.136
local terms energy: -60.156613
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -14.618
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: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -171.563786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.563786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.563786 (E_RNA)
where:
Base-Base interactions energy: -112.226
where: short stacking energy: -38.505
Base-Backbone interact. energy: -0.345
local terms energy: -58.992247
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -11.301
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: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -169.906490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.906490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.906490 (E_RNA)
where:
Base-Base interactions energy: -104.722
where: short stacking energy: -41.306
Base-Backbone interact. energy: 0.383
local terms energy: -65.567124
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -118.550469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.550469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.550469 (E_RNA)
where:
Base-Base interactions energy: -68.553
where: short stacking energy: -21.957
Base-Backbone interact. energy: -0.996
local terms energy: -49.001788
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -5.237
tors. eta vs tors. theta energy: -7.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -80.925251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.925251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.925251 (E_RNA)
where:
Base-Base interactions energy: -43.630
where: short stacking energy: -10.844
Base-Backbone interact. energy: -0.128
local terms energy: -37.166895
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -8.438
flat angles P-C4'-P energy: -6.801
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: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -68.997332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.997332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.997332 (E_RNA)
where:
Base-Base interactions energy: -22.520
where: short stacking energy: -22.520
Base-Backbone interact. energy: -0.772
local terms energy: -45.705136
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -3.638
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: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -73.475436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.475436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.475436 (E_RNA)
where:
Base-Base interactions energy: -31.608
where: short stacking energy: -26.427
Base-Backbone interact. energy: 0.634
local terms energy: -42.501193
where:
bonds (distance) C4'-P energy: -7.931
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -7.297
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: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -68.722674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.722674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.722674 (E_RNA)
where:
Base-Base interactions energy: -31.032
where: short stacking energy: -10.097
Base-Backbone interact. energy: -0.178
local terms energy: -37.513308
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -6.759
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: 3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -70.716901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.716901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.716901 (E_RNA)
where:
Base-Base interactions energy: -25.005
where: short stacking energy: -16.170
Base-Backbone interact. energy: 0.297
local terms energy: -46.008814
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -183.579742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.579742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.579742 (E_RNA)
where:
Base-Base interactions energy: -117.672
where: short stacking energy: -55.504
Base-Backbone interact. energy: -0.004
local terms energy: -65.902827
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -17.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -180.135329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.135329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.135329 (E_RNA)
where:
Base-Base interactions energy: -119.145
where: short stacking energy: -50.501
Base-Backbone interact. energy: -0.034
local terms energy: -60.956440
where:
bonds (distance) C4'-P energy: -10.478
bonds (distance) P-C4' energy: -10.702
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -167.291914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.291914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.291914 (E_RNA)
where:
Base-Base interactions energy: -101.717
where: short stacking energy: -38.736
Base-Backbone interact. energy: -2.137
local terms energy: -63.437431
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -170.087757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.087757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.087757 (E_RNA)
where:
Base-Base interactions energy: -105.705
where: short stacking energy: -43.185
Base-Backbone interact. energy: -0.014
local terms energy: -64.368713
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -119.373397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.373397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.373397 (E_RNA)
where:
Base-Base interactions energy: -74.774
where: short stacking energy: -23.906
Base-Backbone interact. energy: 0.401
local terms energy: -45.000959
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -6.421
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: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -75.106943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.106943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.106943 (E_RNA)
where:
Base-Base interactions energy: -19.241
where: short stacking energy: -19.241
Base-Backbone interact. energy: -0.173
local terms energy: -55.693449
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -73.702536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.702536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.702536 (E_RNA)
where:
Base-Base interactions energy: -26.529
where: short stacking energy: -17.700
Base-Backbone interact. energy: -0.223
local terms energy: -46.950879
where:
bonds (distance) C4'-P energy: -9.172
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: 0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -68.856083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.856083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.856083 (E_RNA)
where:
Base-Base interactions energy: -24.661
where: short stacking energy: -20.003
Base-Backbone interact. energy: -0.366
local terms energy: -43.829361
where:
bonds (distance) C4'-P energy: -8.403
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -60.282127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.282127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.282127 (E_RNA)
where:
Base-Base interactions energy: -22.289
where: short stacking energy: -16.884
Base-Backbone interact. energy: -0.185
local terms energy: -37.808425
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -0.621
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: 399
Temperature: 1.350000
Total energy: -63.059986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.059986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.059986 (E_RNA)
where:
Base-Base interactions energy: -25.836
where: short stacking energy: -20.147
Base-Backbone interact. energy: -0.013
local terms energy: -37.210710
where:
bonds (distance) C4'-P energy: -8.971
bonds (distance) P-C4' energy: -10.322
flat angles C4'-P-C4' energy: -7.501
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -4.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -181.931965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.931965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.931965 (E_RNA)
where:
Base-Base interactions energy: -127.537
where: short stacking energy: -49.157
Base-Backbone interact. energy: -0.006
local terms energy: -54.389468
where:
bonds (distance) C4'-P energy: -9.343
bonds (distance) P-C4' energy: -8.903
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -8.600
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: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -174.978332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.978332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.978332 (E_RNA)
where:
Base-Base interactions energy: -115.951
where: short stacking energy: -46.144
Base-Backbone interact. energy: -0.059
local terms energy: -58.968370
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -7.420
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: 3, replica: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -163.803288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.803288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.803288 (E_RNA)
where:
Base-Base interactions energy: -113.763
where: short stacking energy: -46.796
Base-Backbone interact. energy: -0.011
local terms energy: -50.030084
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -5.079
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: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -170.041766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.041766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.041766 (E_RNA)
where:
Base-Base interactions energy: -112.201
where: short stacking energy: -47.056
Base-Backbone interact. energy: -0.007
local terms energy: -57.833702
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -14.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -127.489171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.489171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.489171 (E_RNA)
where:
Base-Base interactions energy: -75.043
where: short stacking energy: -31.387
Base-Backbone interact. energy: -0.074
local terms energy: -52.371649
where:
bonds (distance) C4'-P energy: -9.480
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -11.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -102.518234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.518234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.518234 (E_RNA)
where:
Base-Base interactions energy: -56.198
where: short stacking energy: -21.544
Base-Backbone interact. energy: -0.706
local terms energy: -45.614172
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -6.906
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -83.875106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.875106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.875106 (E_RNA)
where:
Base-Base interactions energy: -42.751
where: short stacking energy: -15.434
Base-Backbone interact. energy: -0.919
local terms energy: -40.204997
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: 0.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -65.180953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.180953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.180953 (E_RNA)
where:
Base-Base interactions energy: -21.657
where: short stacking energy: -7.895
Base-Backbone interact. energy: -0.443
local terms energy: -43.081268
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -8.703
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: 0.318
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: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -64.919593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.919593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.919593 (E_RNA)
where:
Base-Base interactions energy: -25.466
where: short stacking energy: -25.466
Base-Backbone interact. energy: -0.043
local terms energy: -39.410444
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -5.400
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -63.815686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.815686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.815686 (E_RNA)
where:
Base-Base interactions energy: -32.484
where: short stacking energy: -8.738
Base-Backbone interact. energy: -0.167
local terms energy: -31.164399
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -5.755
flat angles C4'-P-C4' energy: -6.119
flat angles P-C4'-P energy: -7.581
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: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -187.317876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.317876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.317876 (E_RNA)
where:
Base-Base interactions energy: -120.480
where: short stacking energy: -47.476
Base-Backbone interact. energy: -0.017
local terms energy: -66.820041
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -180.308571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.308571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.308571 (E_RNA)
where:
Base-Base interactions energy: -125.936
where: short stacking energy: -45.080
Base-Backbone interact. energy: -0.113
local terms energy: -54.259137
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -12.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -183.187880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.187880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.187880 (E_RNA)
where:
Base-Base interactions energy: -120.568
where: short stacking energy: -45.095
Base-Backbone interact. energy: -0.013
local terms energy: -62.606757
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -15.410
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: 8
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -179.559334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.559334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.559334 (E_RNA)
where:
Base-Base interactions energy: -121.254
where: short stacking energy: -43.548
Base-Backbone interact. energy: -0.580
local terms energy: -57.726135
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -8.239
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: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -169.635722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.635722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.635722 (E_RNA)
where:
Base-Base interactions energy: -112.978
where: short stacking energy: -45.887
Base-Backbone interact. energy: -0.005
local terms energy: -56.652723
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -5.764
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -17.140
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: 6, replica: 2
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -69.784672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.784672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.784672 (E_RNA)
where:
Base-Base interactions energy: -32.875
where: short stacking energy: -17.139
Base-Backbone interact. energy: -0.126
local terms energy: -36.783425
where:
bonds (distance) C4'-P energy: -6.001
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -6.962
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: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -105.252722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.252722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.252722 (E_RNA)
where:
Base-Base interactions energy: -62.928
where: short stacking energy: -30.056
Base-Backbone interact. energy: -0.277
local terms energy: -42.048460
where:
bonds (distance) C4'-P energy: -7.885
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -8.084
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -7.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -71.356018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.356018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.356018 (E_RNA)
where:
Base-Base interactions energy: -32.867
where: short stacking energy: -16.771
Base-Backbone interact. energy: -0.432
local terms energy: -38.057187
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -8.102
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -63.187513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.187513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.187513 (E_RNA)
where:
Base-Base interactions energy: -18.221
where: short stacking energy: -6.646
Base-Backbone interact. energy: -0.080
local terms energy: -44.885773
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: 2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -56.313304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.313304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.313304 (E_RNA)
where:
Base-Base interactions energy: -21.144
where: short stacking energy: -18.757
Base-Backbone interact. energy: -0.049
local terms energy: -35.121015
where:
bonds (distance) C4'-P energy: -5.547
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -8.672
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -2.686
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: 402
Temperature: 0.900000
Total energy: -180.046250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.046250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.046250 (E_RNA)
where:
Base-Base interactions energy: -117.573
where: short stacking energy: -43.772
Base-Backbone interact. energy: -1.054
local terms energy: -61.418725
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -10.125
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: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -180.494815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.494815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.494815 (E_RNA)
where:
Base-Base interactions energy: -117.772
where: short stacking energy: -43.024
Base-Backbone interact. energy: -0.305
local terms energy: -62.418104
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -7.153
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: 3, replica: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -175.701622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.701622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.701622 (E_RNA)
where:
Base-Base interactions energy: -114.916
where: short stacking energy: -45.782
Base-Backbone interact. energy: -0.032
local terms energy: -60.753895
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -8.974
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: 4, replica: 5
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -169.871942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.871942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.871942 (E_RNA)
where:
Base-Base interactions energy: -111.372
where: short stacking energy: -47.330
Base-Backbone interact. energy: -0.013
local terms energy: -58.486481
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -6.009
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: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -167.110980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.110980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.110980 (E_RNA)
where:
Base-Base interactions energy: -97.809
where: short stacking energy: -36.482
Base-Backbone interact. energy: -0.001
local terms energy: -69.300807
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -15.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -83.740500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.740500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.740500 (E_RNA)
where:
Base-Base interactions energy: -31.763
where: short stacking energy: -20.171
Base-Backbone interact. energy: -0.076
local terms energy: -51.901703
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -9.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -71.328859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.328859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.328859 (E_RNA)
where:
Base-Base interactions energy: -31.195
where: short stacking energy: -10.961
Base-Backbone interact. energy: -0.996
local terms energy: -39.137809
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -7.177
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: 1.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -71.096157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.096157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.096157 (E_RNA)
where:
Base-Base interactions energy: -32.211
where: short stacking energy: -12.660
Base-Backbone interact. energy: -0.797
local terms energy: -38.088182
where:
bonds (distance) C4'-P energy: -9.214
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -9.117
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -62.068460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.068460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.068460 (E_RNA)
where:
Base-Base interactions energy: -22.030
where: short stacking energy: -22.030
Base-Backbone interact. energy: -0.055
local terms energy: -39.983466
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -10.014
flat angles C4'-P-C4' energy: -5.746
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -7.846
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: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -58.586928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.586928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.586928 (E_RNA)
where:
Base-Base interactions energy: -25.715
where: short stacking energy: -6.314
Base-Backbone interact. energy: -0.097
local terms energy: -32.775578
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -7.612
flat angles C4'-P-C4' energy: -7.427
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: 2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -182.451749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.451749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.451749 (E_RNA)
where:
Base-Base interactions energy: -116.082
where: short stacking energy: -43.277
Base-Backbone interact. energy: -0.022
local terms energy: -66.347011
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -176.101829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.101829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.101829 (E_RNA)
where:
Base-Base interactions energy: -118.938
where: short stacking energy: -42.862
Base-Backbone interact. energy: -0.107
local terms energy: -57.056780
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -12.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -175.972046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.972046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.972046 (E_RNA)
where:
Base-Base interactions energy: -115.453
where: short stacking energy: -43.911
Base-Backbone interact. energy: -0.088
local terms energy: -60.431667
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -167.791187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.791187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.791187 (E_RNA)
where:
Base-Base interactions energy: -109.089
where: short stacking energy: -44.069
Base-Backbone interact. energy: 0.222
local terms energy: -58.924075
where:
bonds (distance) C4'-P energy: -8.979
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -6.836
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: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -171.151595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.151595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.151595 (E_RNA)
where:
Base-Base interactions energy: -111.334
where: short stacking energy: -46.573
Base-Backbone interact. energy: 0.752
local terms energy: -60.568770
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -71.012829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.012829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.012829 (E_RNA)
where:
Base-Base interactions energy: -30.888
where: short stacking energy: -17.255
Base-Backbone interact. energy: -0.007
local terms energy: -40.117789
where:
bonds (distance) C4'-P energy: -8.872
bonds (distance) P-C4' energy: -9.210
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -4.082
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: 2
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -75.791588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.791588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.791588 (E_RNA)
where:
Base-Base interactions energy: -37.704
where: short stacking energy: -11.777
Base-Backbone interact. energy: -0.117
local terms energy: -37.970493
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -9.441
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -5.102
tors. eta vs tors. theta energy: -2.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -62.464729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.464729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.464729 (E_RNA)
where:
Base-Base interactions energy: -22.098
where: short stacking energy: -9.070
Base-Backbone interact. energy: -0.205
local terms energy: -40.162365
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: 2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -58.096779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.096779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.096779 (E_RNA)
where:
Base-Base interactions energy: -29.521
where: short stacking energy: -13.732
Base-Backbone interact. energy: -0.086
local terms energy: -28.490046
where:
bonds (distance) C4'-P energy: -8.791
bonds (distance) P-C4' energy: -8.740
flat angles C4'-P-C4' energy: -7.230
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: 3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -61.341969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.341969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.341969 (E_RNA)
where:
Base-Base interactions energy: -28.371
where: short stacking energy: -9.537
Base-Backbone interact. energy: 3.510
local terms energy: -36.480470
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -1.107
tors. eta vs tors. theta energy: 4.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -180.961981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.961981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.961981 (E_RNA)
where:
Base-Base interactions energy: -118.552
where: short stacking energy: -43.113
Base-Backbone interact. energy: -0.306
local terms energy: -62.103778
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -180.212636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.212636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.212636 (E_RNA)
where:
Base-Base interactions energy: -118.409
where: short stacking energy: -45.732
Base-Backbone interact. energy: -0.004
local terms energy: -61.799805
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -9.467
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -9.094
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: 3, replica: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -178.251095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.251095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.251095 (E_RNA)
where:
Base-Base interactions energy: -112.241
where: short stacking energy: -44.993
Base-Backbone interact. energy: -0.074
local terms energy: -65.935806
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -18.729
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: 404
Temperature: 1.050000
Total energy: -170.164864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.164864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.164864 (E_RNA)
where:
Base-Base interactions energy: -103.668
where: short stacking energy: -38.716
Base-Backbone interact. energy: -0.011
local terms energy: -66.486255
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -9.399
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: 5, replica: 5
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -159.689362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.689362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.689362 (E_RNA)
where:
Base-Base interactions energy: -107.013
where: short stacking energy: -43.812
Base-Backbone interact. energy: -0.019
local terms energy: -52.657135
where:
bonds (distance) C4'-P energy: -9.243
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -5.559
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: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -66.090058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.090058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.090058 (E_RNA)
where:
Base-Base interactions energy: -20.133
where: short stacking energy: -20.133
Base-Backbone interact. energy: -0.114
local terms energy: -45.843264
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -6.008
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -3.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -72.962284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.962284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.962284 (E_RNA)
where:
Base-Base interactions energy: -30.796
where: short stacking energy: -17.598
Base-Backbone interact. energy: -1.219
local terms energy: -40.948060
where:
bonds (distance) C4'-P energy: -5.857
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -5.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -61.569762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.569762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.569762 (E_RNA)
where:
Base-Base interactions energy: -16.734
where: short stacking energy: -11.595
Base-Backbone interact. energy: -0.177
local terms energy: -44.658669
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -1.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -63.343310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.343310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.343310 (E_RNA)
where:
Base-Base interactions energy: -18.601
where: short stacking energy: -18.601
Base-Backbone interact. energy: -0.443
local terms energy: -44.299971
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -59.138740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.138740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.138740 (E_RNA)
where:
Base-Base interactions energy: -22.747
where: short stacking energy: -11.179
Base-Backbone interact. energy: -0.893
local terms energy: -35.498394
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -7.810
flat angles C4'-P-C4' energy: -4.994
flat angles P-C4'-P energy: -8.745
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: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -181.697819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.697819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.697819 (E_RNA)
where:
Base-Base interactions energy: -118.673
where: short stacking energy: -48.123
Base-Backbone interact. energy: -0.017
local terms energy: -63.007772
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -182.929666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.929666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.929666 (E_RNA)
where:
Base-Base interactions energy: -119.770
where: short stacking energy: -47.179
Base-Backbone interact. energy: -0.039
local terms energy: -63.120391
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -16.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -176.126613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.126613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.126613 (E_RNA)
where:
Base-Base interactions energy: -117.219
where: short stacking energy: -44.246
Base-Backbone interact. energy: -0.016
local terms energy: -58.892112
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -4.500
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -164.158088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.158088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.158088 (E_RNA)
where:
Base-Base interactions energy: -106.607
where: short stacking energy: -36.137
Base-Backbone interact. energy: -0.115
local terms energy: -57.436057
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -11.018
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: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -167.123686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.123686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.123686 (E_RNA)
where:
Base-Base interactions energy: -106.754
where: short stacking energy: -44.958
Base-Backbone interact. energy: -0.008
local terms energy: -60.361773
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -17.195
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: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -88.989617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.989617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.989617 (E_RNA)
where:
Base-Base interactions energy: -45.393
where: short stacking energy: -24.622
Base-Backbone interact. energy: -0.143
local terms energy: -43.453315
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -3.441
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: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -68.514998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.514998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.514998 (E_RNA)
where:
Base-Base interactions energy: -25.196
where: short stacking energy: -16.815
Base-Backbone interact. energy: -0.006
local terms energy: -43.313534
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -9.727
flat angles P-C4'-P energy: -4.532
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: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -73.842892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.842892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.842892 (E_RNA)
where:
Base-Base interactions energy: -39.813
where: short stacking energy: -11.462
Base-Backbone interact. energy: -0.241
local terms energy: -33.788718
where:
bonds (distance) C4'-P energy: -6.636
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -7.279
flat angles P-C4'-P energy: -8.811
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: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -72.048552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.048552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.048552 (E_RNA)
where:
Base-Base interactions energy: -36.110
where: short stacking energy: -20.332
Base-Backbone interact. energy: 0.250
local terms energy: -36.188942
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -9.279
flat angles C4'-P-C4' energy: -8.461
flat angles P-C4'-P energy: -6.672
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: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -64.295407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.295407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.295407 (E_RNA)
where:
Base-Base interactions energy: -14.182
where: short stacking energy: -13.456
Base-Backbone interact. energy: -0.082
local terms energy: -50.031992
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -2.231
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: 6
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -183.888356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.888356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.888356 (E_RNA)
where:
Base-Base interactions energy: -119.292
where: short stacking energy: -49.196
Base-Backbone interact. energy: -0.004
local terms energy: -64.592491
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -180.073283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.073283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.073283 (E_RNA)
where:
Base-Base interactions energy: -117.274
where: short stacking energy: -43.728
Base-Backbone interact. energy: -0.027
local terms energy: -62.771600
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -178.999003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.999003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.999003 (E_RNA)
where:
Base-Base interactions energy: -116.964
where: short stacking energy: -46.854
Base-Backbone interact. energy: -0.002
local terms energy: -62.033219
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -165.846858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.846858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.846858 (E_RNA)
where:
Base-Base interactions energy: -105.330
where: short stacking energy: -41.020
Base-Backbone interact. energy: -0.106
local terms energy: -60.410420
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -112.354744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.354744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.354744 (E_RNA)
where:
Base-Base interactions energy: -63.622
where: short stacking energy: -21.195
Base-Backbone interact. energy: -0.025
local terms energy: -48.707451
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -6.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -162.900817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.900817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.900817 (E_RNA)
where:
Base-Base interactions energy: -107.254
where: short stacking energy: -48.657
Base-Backbone interact. energy: -0.001
local terms energy: -55.645981
where:
bonds (distance) C4'-P energy: -8.701
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -6.130
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: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -82.921828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.921828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.921828 (E_RNA)
where:
Base-Base interactions energy: -39.700
where: short stacking energy: -18.104
Base-Backbone interact. energy: -0.127
local terms energy: -43.094817
where:
bonds (distance) C4'-P energy: -6.701
bonds (distance) P-C4' energy: -9.996
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -4.194
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: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -74.134959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.134959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.134959 (E_RNA)
where:
Base-Base interactions energy: -29.035
where: short stacking energy: -23.098
Base-Backbone interact. energy: -0.112
local terms energy: -44.988652
where:
bonds (distance) C4'-P energy: -10.060
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -1.974
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: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -58.367673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.367673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.367673 (E_RNA)
where:
Base-Base interactions energy: -23.687
where: short stacking energy: -16.792
Base-Backbone interact. energy: -0.139
local terms energy: -34.541542
where:
bonds (distance) C4'-P energy: -7.325
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -7.606
flat angles P-C4'-P energy: -4.119
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: 10, replica: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -66.459293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.459293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.459293 (E_RNA)
where:
Base-Base interactions energy: -23.739
where: short stacking energy: -11.095
Base-Backbone interact. energy: 0.843
local terms energy: -43.562778
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -180.854276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.854276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.854276 (E_RNA)
where:
Base-Base interactions energy: -114.776
where: short stacking energy: -47.182
Base-Backbone interact. energy: -0.007
local terms energy: -66.071413
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -176.232520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.232520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.232520 (E_RNA)
where:
Base-Base interactions energy: -116.334
where: short stacking energy: -45.580
Base-Backbone interact. energy: -0.045
local terms energy: -59.853065
where:
bonds (distance) C4'-P energy: -8.245
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -14.681
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: 407
Temperature: 1.000000
Total energy: -176.041287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.041287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.041287 (E_RNA)
where:
Base-Base interactions energy: -113.517
where: short stacking energy: -45.041
Base-Backbone interact. energy: -0.259
local terms energy: -62.265248
where:
bonds (distance) C4'-P energy: -10.151
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -165.219799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.219799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.219799 (E_RNA)
where:
Base-Base interactions energy: -111.470
where: short stacking energy: -37.107
Base-Backbone interact. energy: -0.021
local terms energy: -53.728775
where:
bonds (distance) C4'-P energy: -9.342
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -7.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -161.610225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.610225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.610225 (E_RNA)
where:
Base-Base interactions energy: -106.878
where: short stacking energy: -43.351
Base-Backbone interact. energy: -0.013
local terms energy: -54.719007
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -4.147
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: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -167.783889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.783889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.783889 (E_RNA)
where:
Base-Base interactions energy: -110.729
where: short stacking energy: -44.662
Base-Backbone interact. energy: -0.077
local terms energy: -56.977500
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -64.613426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.613426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.613426 (E_RNA)
where:
Base-Base interactions energy: -18.410
where: short stacking energy: -18.410
Base-Backbone interact. energy: -0.195
local terms energy: -46.008231
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -59.311421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.311421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.311421 (E_RNA)
where:
Base-Base interactions energy: -21.753
where: short stacking energy: -20.151
Base-Backbone interact. energy: -0.020
local terms energy: -37.538068
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -7.598
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -71.741341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.741341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.741341 (E_RNA)
where:
Base-Base interactions energy: -35.938
where: short stacking energy: -16.223
Base-Backbone interact. energy: -0.211
local terms energy: -35.592374
where:
bonds (distance) C4'-P energy: -8.686
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -6.057
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -62.282796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.282796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.282796 (E_RNA)
where:
Base-Base interactions energy: -28.300
where: short stacking energy: -18.482
Base-Backbone interact. energy: -0.122
local terms energy: -33.860148
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -4.174
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -174.530850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.530850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.530850 (E_RNA)
where:
Base-Base interactions energy: -110.531
where: short stacking energy: -40.502
Base-Backbone interact. energy: -0.167
local terms energy: -63.833005
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -184.662459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.662459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.662459 (E_RNA)
where:
Base-Base interactions energy: -119.077
where: short stacking energy: -51.310
Base-Backbone interact. energy: -0.009
local terms energy: -65.576518
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -7.608
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: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -182.456850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.456850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.456850 (E_RNA)
where:
Base-Base interactions energy: -120.014
where: short stacking energy: -48.008
Base-Backbone interact. energy: -0.081
local terms energy: -62.362487
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -8.390
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -173.477544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.477544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.477544 (E_RNA)
where:
Base-Base interactions energy: -108.977
where: short stacking energy: -43.319
Base-Backbone interact. energy: -0.027
local terms energy: -64.473357
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -171.099358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.099358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.099358 (E_RNA)
where:
Base-Base interactions energy: -109.455
where: short stacking energy: -37.658
Base-Backbone interact. energy: -0.010
local terms energy: -61.633884
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -161.177873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.177873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.177873 (E_RNA)
where:
Base-Base interactions energy: -110.020
where: short stacking energy: -43.879
Base-Backbone interact. energy: -0.031
local terms energy: -51.127041
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -9.039
flat angles C4'-P-C4' energy: -9.289
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -67.446545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.446545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.446545 (E_RNA)
where:
Base-Base interactions energy: -19.764
where: short stacking energy: -14.640
Base-Backbone interact. energy: -0.773
local terms energy: -46.909657
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -4.742
flat angles P-C4'-P energy: -10.210
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: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -69.452908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.452908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.452908 (E_RNA)
where:
Base-Base interactions energy: -25.589
where: short stacking energy: -18.560
Base-Backbone interact. energy: -0.025
local terms energy: -43.838741
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -9.028
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -58.273713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.273713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.273713 (E_RNA)
where:
Base-Base interactions energy: -22.154
where: short stacking energy: -20.752
Base-Backbone interact. energy: -0.146
local terms energy: -35.974043
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -8.315
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -3.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -55.011498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.011498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.011498 (E_RNA)
where:
Base-Base interactions energy: -24.837
where: short stacking energy: -14.539
Base-Backbone interact. energy: -0.151
local terms energy: -30.024108
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -9.685
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: 0.051
tors. eta vs tors. theta energy: -0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -172.870059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.870059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.870059 (E_RNA)
where:
Base-Base interactions energy: -111.404
where: short stacking energy: -39.305
Base-Backbone interact. energy: -0.170
local terms energy: -61.296356
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -11.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -174.392506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.392506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.392506 (E_RNA)
where:
Base-Base interactions energy: -109.735
where: short stacking energy: -47.942
Base-Backbone interact. energy: -0.094
local terms energy: -64.563222
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -15.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -172.272320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.272320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.272320 (E_RNA)
where:
Base-Base interactions energy: -111.493
where: short stacking energy: -46.087
Base-Backbone interact. energy: -0.049
local terms energy: -60.730922
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -8.963
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -149.735476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.735476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.735476 (E_RNA)
where:
Base-Base interactions energy: -90.183
where: short stacking energy: -37.551
Base-Backbone interact. energy: -0.175
local terms energy: -59.376638
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -7.032
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: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -177.995116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.995116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.995116 (E_RNA)
where:
Base-Base interactions energy: -118.964
where: short stacking energy: -38.886
Base-Backbone interact. energy: -0.341
local terms energy: -58.690856
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -11.731
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: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -165.345265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.345265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.345265 (E_RNA)
where:
Base-Base interactions energy: -106.133
where: short stacking energy: -48.461
Base-Backbone interact. energy: -0.034
local terms energy: -59.179098
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -73.511118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.511118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.511118 (E_RNA)
where:
Base-Base interactions energy: -28.566
where: short stacking energy: -17.820
Base-Backbone interact. energy: -0.261
local terms energy: -44.684724
where:
bonds (distance) C4'-P energy: -9.838
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -1.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -75.923088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.923088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.923088 (E_RNA)
where:
Base-Base interactions energy: -31.708
where: short stacking energy: -17.800
Base-Backbone interact. energy: -0.042
local terms energy: -44.172983
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -3.277
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: 9, replica: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -62.747731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.747731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.747731 (E_RNA)
where:
Base-Base interactions energy: -16.205
where: short stacking energy: -11.142
Base-Backbone interact. energy: -0.396
local terms energy: -46.146362
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -1.031
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: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -59.614282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.614282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.614282 (E_RNA)
where:
Base-Base interactions energy: -24.327
where: short stacking energy: -7.367
Base-Backbone interact. energy: 0.206
local terms energy: -35.493195
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -9.840
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: 5.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -185.261190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.261190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.261190 (E_RNA)
where:
Base-Base interactions energy: -122.126
where: short stacking energy: -44.746
Base-Backbone interact. energy: -0.289
local terms energy: -62.846107
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -175.826232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.826232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.826232 (E_RNA)
where:
Base-Base interactions energy: -114.832
where: short stacking energy: -48.920
Base-Backbone interact. energy: -0.002
local terms energy: -60.992463
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -14.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -172.217989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.217989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.217989 (E_RNA)
where:
Base-Base interactions energy: -111.884
where: short stacking energy: -43.632
Base-Backbone interact. energy: -0.092
local terms energy: -60.241589
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -159.087930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.087930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.087930 (E_RNA)
where:
Base-Base interactions energy: -102.761
where: short stacking energy: -40.492
Base-Backbone interact. energy: -1.054
local terms energy: -55.272816
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -11.596
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: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -164.402183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.402183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.402183 (E_RNA)
where:
Base-Base interactions energy: -104.296
where: short stacking energy: -38.102
Base-Backbone interact. energy: -0.322
local terms energy: -59.783879
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -16.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -163.214747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.214747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.214747 (E_RNA)
where:
Base-Base interactions energy: -106.401
where: short stacking energy: -38.487
Base-Backbone interact. energy: -1.157
local terms energy: -55.656594
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -13.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -74.680259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.680259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.680259 (E_RNA)
where:
Base-Base interactions energy: -30.611
where: short stacking energy: -26.646
Base-Backbone interact. energy: 0.196
local terms energy: -44.265873
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -2.790
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: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -70.540710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.540710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.540710 (E_RNA)
where:
Base-Base interactions energy: -25.275
where: short stacking energy: -13.556
Base-Backbone interact. energy: -0.122
local terms energy: -45.143634
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -10.420
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -3.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -60.765376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.765376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.765376 (E_RNA)
where:
Base-Base interactions energy: -27.139
where: short stacking energy: -14.265
Base-Backbone interact. energy: -0.452
local terms energy: -33.174880
where:
bonds (distance) C4'-P energy: -8.416
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -10.008
flat angles P-C4'-P energy: -3.351
tors. eta vs tors. theta energy: 2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -79.734248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.734248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.734248 (E_RNA)
where:
Base-Base interactions energy: -38.735
where: short stacking energy: -14.850
Base-Backbone interact. energy: -0.719
local terms energy: -40.279792
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -10.066
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -2.812
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: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -183.301767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.301767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.301767 (E_RNA)
where:
Base-Base interactions energy: -119.707
where: short stacking energy: -49.674
Base-Backbone interact. energy: -0.033
local terms energy: -63.562250
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -7.125
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: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -171.483303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.483303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.483303 (E_RNA)
where:
Base-Base interactions energy: -108.478
where: short stacking energy: -43.222
Base-Backbone interact. energy: -0.010
local terms energy: -62.996010
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -14.591
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: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -172.281770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.281770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.281770 (E_RNA)
where:
Base-Base interactions energy: -114.274
where: short stacking energy: -47.042
Base-Backbone interact. energy: -0.001
local terms energy: -58.006417
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -8.552
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -176.374537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.374537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.374537 (E_RNA)
where:
Base-Base interactions energy: -114.178
where: short stacking energy: -46.485
Base-Backbone interact. energy: -0.032
local terms energy: -62.164376
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -160.728975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.728975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.728975 (E_RNA)
where:
Base-Base interactions energy: -106.372
where: short stacking energy: -40.425
Base-Backbone interact. energy: -0.203
local terms energy: -54.153496
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -11.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -154.761864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.761864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.761864 (E_RNA)
where:
Base-Base interactions energy: -98.182
where: short stacking energy: -40.332
Base-Backbone interact. energy: -0.093
local terms energy: -56.486782
where:
bonds (distance) C4'-P energy: -10.246
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -10.683
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: 2
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -87.180997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.180997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.180997 (E_RNA)
where:
Base-Base interactions energy: -49.835
where: short stacking energy: -18.518
Base-Backbone interact. energy: -0.054
local terms energy: -37.291470
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -6.854
flat angles P-C4'-P energy: -6.296
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: 8, replica: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -75.792299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.792299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.792299 (E_RNA)
where:
Base-Base interactions energy: -33.690
where: short stacking energy: -21.913
Base-Backbone interact. energy: -0.053
local terms energy: -42.049871
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -4.098
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: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -61.948150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.948150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.948150 (E_RNA)
where:
Base-Base interactions energy: -18.617
where: short stacking energy: -18.184
Base-Backbone interact. energy: -0.198
local terms energy: -43.132988
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -1.904
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: 10, replica: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -67.492749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.492749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.492749 (E_RNA)
where:
Base-Base interactions energy: -29.945
where: short stacking energy: -11.204
Base-Backbone interact. energy: 1.598
local terms energy: -39.145817
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -9.097
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -6.430
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: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -175.094515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.094515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.094515 (E_RNA)
where:
Base-Base interactions energy: -113.463
where: short stacking energy: -46.069
Base-Backbone interact. energy: -0.292
local terms energy: -61.339710
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -15.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -182.039716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.039716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.039716 (E_RNA)
where:
Base-Base interactions energy: -115.992
where: short stacking energy: -42.728
Base-Backbone interact. energy: -0.240
local terms energy: -65.808114
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -172.309794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.309794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.309794 (E_RNA)
where:
Base-Base interactions energy: -107.108
where: short stacking energy: -43.110
Base-Backbone interact. energy: -0.113
local terms energy: -65.088867
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -12.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -173.285351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.285351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.285351 (E_RNA)
where:
Base-Base interactions energy: -108.510
where: short stacking energy: -46.222
Base-Backbone interact. energy: -0.005
local terms energy: -64.770161
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -19.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -167.289587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.289587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.289587 (E_RNA)
where:
Base-Base interactions energy: -109.777
where: short stacking energy: -39.466
Base-Backbone interact. energy: -0.100
local terms energy: -57.412467
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -166.636039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.636039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.636039 (E_RNA)
where:
Base-Base interactions energy: -108.134
where: short stacking energy: -41.395
Base-Backbone interact. energy: -0.019
local terms energy: -58.483584
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -9.850
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -92.890471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.890471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.890471 (E_RNA)
where:
Base-Base interactions energy: -41.696
where: short stacking energy: -24.435
Base-Backbone interact. energy: 0.229
local terms energy: -51.423643
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -9.092
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -8.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -77.274942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.274942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.274942 (E_RNA)
where:
Base-Base interactions energy: -29.387
where: short stacking energy: -16.714
Base-Backbone interact. energy: -0.357
local terms energy: -47.530041
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: -4.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -81.050403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.050403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.050403 (E_RNA)
where:
Base-Base interactions energy: -41.818
where: short stacking energy: -16.111
Base-Backbone interact. energy: -0.054
local terms energy: -39.178990
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -3.009
tors. eta vs tors. theta energy: -4.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -61.200619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.200619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.200619 (E_RNA)
where:
Base-Base interactions energy: -13.623
where: short stacking energy: -13.623
Base-Backbone interact. energy: -0.109
local terms energy: -47.467883
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -0.797
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: 413
Temperature: 0.900000
Total energy: -180.978956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.978956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.978956 (E_RNA)
where:
Base-Base interactions energy: -120.152
where: short stacking energy: -39.040
Base-Backbone interact. energy: -0.092
local terms energy: -60.734426
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -7.475
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: 2, replica: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -179.708043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.708043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.708043 (E_RNA)
where:
Base-Base interactions energy: -108.570
where: short stacking energy: -45.156
Base-Backbone interact. energy: -0.014
local terms energy: -71.124245
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -18.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -179.528031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.528031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.528031 (E_RNA)
where:
Base-Base interactions energy: -113.620
where: short stacking energy: -46.147
Base-Backbone interact. energy: -0.020
local terms energy: -65.888477
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -18.752
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: 413
Temperature: 1.050000
Total energy: -173.899249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.899249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.899249 (E_RNA)
where:
Base-Base interactions energy: -112.383
where: short stacking energy: -46.915
Base-Backbone interact. energy: -0.020
local terms energy: -61.496755
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -10.631
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -169.092342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.092342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.092342 (E_RNA)
where:
Base-Base interactions energy: -109.448
where: short stacking energy: -44.195
Base-Backbone interact. energy: 0.615
local terms energy: -60.259340
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -9.110
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -8.843
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: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -161.314839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.314839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.314839 (E_RNA)
where:
Base-Base interactions energy: -106.145
where: short stacking energy: -35.265
Base-Backbone interact. energy: -0.031
local terms energy: -55.138991
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -65.160744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.160744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.160744 (E_RNA)
where:
Base-Base interactions energy: -27.073
where: short stacking energy: -18.543
Base-Backbone interact. energy: -0.664
local terms energy: -37.423670
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -2.415
tors. eta vs tors. theta energy: -1.135
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: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -66.632327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.632327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.632327 (E_RNA)
where:
Base-Base interactions energy: -33.286
where: short stacking energy: -7.381
Base-Backbone interact. energy: 0.701
local terms energy: -34.046798
where:
bonds (distance) C4'-P energy: -7.012
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -1.845
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: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -67.770244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.770244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.770244 (E_RNA)
where:
Base-Base interactions energy: -31.010
where: short stacking energy: -10.679
Base-Backbone interact. energy: 2.372
local terms energy: -39.131935
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: 2.747
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: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -61.222649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.222649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.222649 (E_RNA)
where:
Base-Base interactions energy: -22.178
where: short stacking energy: -15.173
Base-Backbone interact. energy: -0.073
local terms energy: -38.970920
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: 0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -182.635275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.635275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.635275 (E_RNA)
where:
Base-Base interactions energy: -118.050
where: short stacking energy: -48.064
Base-Backbone interact. energy: -0.009
local terms energy: -64.576317
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -10.409
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: 3
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -179.990319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.990319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.990319 (E_RNA)
where:
Base-Base interactions energy: -118.094
where: short stacking energy: -48.035
Base-Backbone interact. energy: -0.034
local terms energy: -61.862907
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -176.137823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.137823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.137823 (E_RNA)
where:
Base-Base interactions energy: -115.707
where: short stacking energy: -40.657
Base-Backbone interact. energy: -0.724
local terms energy: -59.706953
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: -13.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -172.334374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.334374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.334374 (E_RNA)
where:
Base-Base interactions energy: -113.259
where: short stacking energy: -38.788
Base-Backbone interact. energy: -0.110
local terms energy: -58.965142
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -10.330
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: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -162.988044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.988044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.988044 (E_RNA)
where:
Base-Base interactions energy: -107.208
where: short stacking energy: -41.759
Base-Backbone interact. energy: -0.035
local terms energy: -55.745143
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -156.140325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.140325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.140325 (E_RNA)
where:
Base-Base interactions energy: -97.134
where: short stacking energy: -32.081
Base-Backbone interact. energy: -0.060
local terms energy: -58.945785
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -11.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -77.196795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.196795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.196795 (E_RNA)
where:
Base-Base interactions energy: -31.156
where: short stacking energy: -24.726
Base-Backbone interact. energy: -0.148
local terms energy: -45.892551
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -3.621
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -61.001447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.001447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.001447 (E_RNA)
where:
Base-Base interactions energy: -27.762
where: short stacking energy: -16.043
Base-Backbone interact. energy: -0.114
local terms energy: -33.125297
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -9.415
flat angles C4'-P-C4' energy: -8.119
flat angles P-C4'-P energy: -3.778
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: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -69.011493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.011493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.011493 (E_RNA)
where:
Base-Base interactions energy: -34.400
where: short stacking energy: -22.110
Base-Backbone interact. energy: 1.688
local terms energy: -36.298911
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -10.703
flat angles C4'-P-C4' energy: -6.815
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -4.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -70.668654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.668654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.668654 (E_RNA)
where:
Base-Base interactions energy: -24.532
where: short stacking energy: -17.662
Base-Backbone interact. energy: -0.017
local terms energy: -46.120258
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -7.481
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -8.735
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: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -178.566692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.566692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.566692 (E_RNA)
where:
Base-Base interactions energy: -116.695
where: short stacking energy: -40.768
Base-Backbone interact. energy: -0.301
local terms energy: -61.570414
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -14.688
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: 415
Temperature: 0.950000
Total energy: -178.743420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.743420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.743420 (E_RNA)
where:
Base-Base interactions energy: -120.684
where: short stacking energy: -47.822
Base-Backbone interact. energy: -0.092
local terms energy: -57.967758
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -13.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -175.072524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.072524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.072524 (E_RNA)
where:
Base-Base interactions energy: -112.599
where: short stacking energy: -41.703
Base-Backbone interact. energy: -0.344
local terms energy: -62.129558
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -9.306
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: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -169.248841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.248841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.248841 (E_RNA)
where:
Base-Base interactions energy: -114.384
where: short stacking energy: -45.566
Base-Backbone interact. energy: 1.090
local terms energy: -55.954175
where:
bonds (distance) C4'-P energy: -9.200
bonds (distance) P-C4' energy: -8.651
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -10.039
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: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -169.120269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.120269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.120269 (E_RNA)
where:
Base-Base interactions energy: -108.230
where: short stacking energy: -37.631
Base-Backbone interact. energy: -0.178
local terms energy: -60.712003
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -166.439536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.439536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.439536 (E_RNA)
where:
Base-Base interactions energy: -111.653
where: short stacking energy: -42.113
Base-Backbone interact. energy: -0.064
local terms energy: -54.723034
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -7.799
flat angles P-C4'-P energy: -7.508
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: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -80.792060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.792060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.792060 (E_RNA)
where:
Base-Base interactions energy: -45.612
where: short stacking energy: -13.468
Base-Backbone interact. energy: -0.242
local terms energy: -34.938175
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -10.199
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -1.981
tors. eta vs tors. theta energy: 0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -65.155602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.155602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.155602 (E_RNA)
where:
Base-Base interactions energy: -23.445
where: short stacking energy: -12.549
Base-Backbone interact. energy: -0.432
local terms energy: -41.278472
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -9.364
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -0.825
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: 2
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -76.338609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.338609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.338609 (E_RNA)
where:
Base-Base interactions energy: -37.531
where: short stacking energy: -13.939
Base-Backbone interact. energy: -0.087
local terms energy: -38.720249
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -10.364
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -5.708
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: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -63.451874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.451874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.451874 (E_RNA)
where:
Base-Base interactions energy: -21.476
where: short stacking energy: -15.202
Base-Backbone interact. energy: 0.663
local terms energy: -42.638609
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -10.291
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: 1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -176.836911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.836911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.836911 (E_RNA)
where:
Base-Base interactions energy: -114.932
where: short stacking energy: -46.543
Base-Backbone interact. energy: -0.165
local terms energy: -61.740705
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -14.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -182.122145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.122145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.122145 (E_RNA)
where:
Base-Base interactions energy: -116.861
where: short stacking energy: -42.700
Base-Backbone interact. energy: -1.061
local terms energy: -64.200834
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -15.832
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: 3, replica: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -173.207082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.207082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.207082 (E_RNA)
where:
Base-Base interactions energy: -115.855
where: short stacking energy: -40.910
Base-Backbone interact. energy: -0.100
local terms energy: -57.251335
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -4.334
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -174.450076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.450076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.450076 (E_RNA)
where:
Base-Base interactions energy: -111.869
where: short stacking energy: -42.132
Base-Backbone interact. energy: -0.069
local terms energy: -62.512180
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -155.252364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.252364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.252364 (E_RNA)
where:
Base-Base interactions energy: -95.375
where: short stacking energy: -34.388
Base-Backbone interact. energy: -0.099
local terms energy: -59.777766
where:
bonds (distance) C4'-P energy: -11.057
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -162.297695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.297695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.297695 (E_RNA)
where:
Base-Base interactions energy: -107.902
where: short stacking energy: -41.845
Base-Backbone interact. energy: -1.367
local terms energy: -53.028883
where:
bonds (distance) C4'-P energy: -6.930
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -15.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -69.405321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.405321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.405321 (E_RNA)
where:
Base-Base interactions energy: -24.276
where: short stacking energy: -22.711
Base-Backbone interact. energy: -0.172
local terms energy: -44.957407
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -8.048
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -6.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -60.171250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.171250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.171250 (E_RNA)
where:
Base-Base interactions energy: -21.168
where: short stacking energy: -9.615
Base-Backbone interact. energy: -0.078
local terms energy: -38.924389
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -4.590
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: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -62.955958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.955958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.955958 (E_RNA)
where:
Base-Base interactions energy: -22.909
where: short stacking energy: -22.909
Base-Backbone interact. energy: 0.118
local terms energy: -40.165562
where:
bonds (distance) C4'-P energy: -7.082
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -1.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -67.881460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.881460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.881460 (E_RNA)
where:
Base-Base interactions energy: -42.507
where: short stacking energy: -15.055
Base-Backbone interact. energy: -0.174
local terms energy: -25.201095
where:
bonds (distance) C4'-P energy: -8.304
bonds (distance) P-C4' energy: -5.495
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -4.598
tors. eta vs tors. theta energy: 2.505
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: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -179.429264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.429264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.429264 (E_RNA)
where:
Base-Base interactions energy: -110.642
where: short stacking energy: -49.112
Base-Backbone interact. energy: -0.100
local terms energy: -68.687541
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -177.167999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.167999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.167999 (E_RNA)
where:
Base-Base interactions energy: -108.578
where: short stacking energy: -39.197
Base-Backbone interact. energy: -0.171
local terms energy: -68.418139
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -15.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -173.520395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.520395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.520395 (E_RNA)
where:
Base-Base interactions energy: -116.653
where: short stacking energy: -43.358
Base-Backbone interact. energy: -0.088
local terms energy: -56.779342
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -170.644289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.644289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.644289 (E_RNA)
where:
Base-Base interactions energy: -107.238
where: short stacking energy: -44.915
Base-Backbone interact. energy: -0.021
local terms energy: -63.384857
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -17.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -165.816627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.816627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.816627 (E_RNA)
where:
Base-Base interactions energy: -108.878
where: short stacking energy: -40.549
Base-Backbone interact. energy: -0.537
local terms energy: -56.401660
where:
bonds (distance) C4'-P energy: -8.863
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -153.407898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.407898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.407898 (E_RNA)
where:
Base-Base interactions energy: -103.358
where: short stacking energy: -37.924
Base-Backbone interact. energy: -0.026
local terms energy: -50.024003
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -10.469
flat angles C4'-P-C4' energy: -7.787
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -13.867
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: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -72.904862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.904862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.904862 (E_RNA)
where:
Base-Base interactions energy: -27.126
where: short stacking energy: -27.126
Base-Backbone interact. energy: -0.155
local terms energy: -45.623995
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -3.893
tors. eta vs tors. theta energy: -7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -68.918067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.918067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.918067 (E_RNA)
where:
Base-Base interactions energy: -33.575
where: short stacking energy: -16.168
Base-Backbone interact. energy: 0.747
local terms energy: -36.089823
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -6.803
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: 1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -60.245087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.245087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.245087 (E_RNA)
where:
Base-Base interactions energy: -27.002
where: short stacking energy: -16.595
Base-Backbone interact. energy: -0.018
local terms energy: -33.225823
where:
bonds (distance) C4'-P energy: -8.568
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -5.002
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: 1.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -60.736051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.736051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.736051 (E_RNA)
where:
Base-Base interactions energy: -24.586
where: short stacking energy: -17.249
Base-Backbone interact. energy: -0.204
local terms energy: -35.945980
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -9.344
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: 1, replica: 5
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -184.164676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.164676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.164676 (E_RNA)
where:
Base-Base interactions energy: -119.900
where: short stacking energy: -49.936
Base-Backbone interact. energy: -0.023
local terms energy: -64.241737
where:
bonds (distance) C4'-P energy: -10.219
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -177.818233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.818233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.818233 (E_RNA)
where:
Base-Base interactions energy: -116.131
where: short stacking energy: -46.565
Base-Backbone interact. energy: -0.142
local terms energy: -61.545091
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -4.744
tors. eta vs tors. theta energy: -17.260
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: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -176.257124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.257124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.257124 (E_RNA)
where:
Base-Base interactions energy: -114.866
where: short stacking energy: -48.472
Base-Backbone interact. energy: -0.158
local terms energy: -61.233267
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -5.497
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -172.681279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.681279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.681279 (E_RNA)
where:
Base-Base interactions energy: -111.276
where: short stacking energy: -41.676
Base-Backbone interact. energy: -0.638
local terms energy: -60.767574
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -14.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -174.067562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.067562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.067562 (E_RNA)
where:
Base-Base interactions energy: -112.962
where: short stacking energy: -43.629
Base-Backbone interact. energy: -0.261
local terms energy: -60.844525
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -15.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -163.292534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.292534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.292534 (E_RNA)
where:
Base-Base interactions energy: -107.386
where: short stacking energy: -39.787
Base-Backbone interact. energy: -0.063
local terms energy: -55.843653
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -97.795037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.795037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.795037 (E_RNA)
where:
Base-Base interactions energy: -47.667
where: short stacking energy: -25.639
Base-Backbone interact. energy: -0.082
local terms energy: -50.045450
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -69.318891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.318891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.318891 (E_RNA)
where:
Base-Base interactions energy: -35.583
where: short stacking energy: -19.209
Base-Backbone interact. energy: -0.004
local terms energy: -33.732075
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -9.705
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: 1.420
tors. eta vs tors. theta energy: -3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -73.714954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.714954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.714954 (E_RNA)
where:
Base-Base interactions energy: -42.438
where: short stacking energy: -19.049
Base-Backbone interact. energy: -0.186
local terms energy: -31.091134
where:
bonds (distance) C4'-P energy: -8.634
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -8.054
flat angles P-C4'-P energy: -6.725
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: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -54.116703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.116703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.116703 (E_RNA)
where:
Base-Base interactions energy: -21.585
where: short stacking energy: -10.949
Base-Backbone interact. energy: -0.177
local terms energy: -32.354118
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -5.317
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: -3.185
tors. eta vs tors. theta energy: -0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -179.698704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.698704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.698704 (E_RNA)
where:
Base-Base interactions energy: -116.698
where: short stacking energy: -40.017
Base-Backbone interact. energy: -0.161
local terms energy: -62.839492
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -179.640636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.640636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.640636 (E_RNA)
where:
Base-Base interactions energy: -113.877
where: short stacking energy: -45.844
Base-Backbone interact. energy: -0.021
local terms energy: -65.742945
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -10.625
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: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -163.869260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.869260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.869260 (E_RNA)
where:
Base-Base interactions energy: -108.301
where: short stacking energy: -35.534
Base-Backbone interact. energy: -0.456
local terms energy: -55.111987
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -11.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -172.725671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.725671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.725671 (E_RNA)
where:
Base-Base interactions energy: -108.577
where: short stacking energy: -45.902
Base-Backbone interact. energy: 0.125
local terms energy: -64.273687
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -11.471
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: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -172.611245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.611245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.611245 (E_RNA)
where:
Base-Base interactions energy: -107.593
where: short stacking energy: -42.950
Base-Backbone interact. energy: -0.178
local terms energy: -64.839738
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -15.394
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: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -173.407113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.407113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.407113 (E_RNA)
where:
Base-Base interactions energy: -113.692
where: short stacking energy: -45.539
Base-Backbone interact. energy: -0.279
local terms energy: -59.436512
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -9.438
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -68.418059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.418059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.418059 (E_RNA)
where:
Base-Base interactions energy: -28.208
where: short stacking energy: -13.120
Base-Backbone interact. energy: -0.291
local terms energy: -39.919238
where:
bonds (distance) C4'-P energy: -9.699
bonds (distance) P-C4' energy: -8.139
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -7.590
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: 8, replica: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -69.880748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.880748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.880748 (E_RNA)
where:
Base-Base interactions energy: -26.666
where: short stacking energy: -15.924
Base-Backbone interact. energy: -0.339
local terms energy: -42.875917
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -8.335
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: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -64.107034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.107034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.107034 (E_RNA)
where:
Base-Base interactions energy: -28.421
where: short stacking energy: -15.092
Base-Backbone interact. energy: 0.778
local terms energy: -36.463915
where:
bonds (distance) C4'-P energy: -7.624
bonds (distance) P-C4' energy: -11.388
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: 0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -58.083687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.083687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.083687 (E_RNA)
where:
Base-Base interactions energy: -18.301
where: short stacking energy: -12.165
Base-Backbone interact. energy: 0.238
local terms energy: -40.021432
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -8.239
flat angles P-C4'-P energy: -4.989
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: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -184.301401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.301401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.301401 (E_RNA)
where:
Base-Base interactions energy: -115.621
where: short stacking energy: -47.885
Base-Backbone interact. energy: -0.006
local terms energy: -68.674074
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -18.331
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: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -178.271591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.271591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.271591 (E_RNA)
where:
Base-Base interactions energy: -118.920
where: short stacking energy: -49.582
Base-Backbone interact. energy: -0.054
local terms energy: -59.297535
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -16.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -177.401157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.401157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.401157 (E_RNA)
where:
Base-Base interactions energy: -116.708
where: short stacking energy: -44.759
Base-Backbone interact. energy: -0.220
local terms energy: -60.473868
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -8.726
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: 4, replica: 1
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -172.125884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.125884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.125884 (E_RNA)
where:
Base-Base interactions energy: -113.821
where: short stacking energy: -43.602
Base-Backbone interact. energy: -0.106
local terms energy: -58.198754
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -11.356
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -6.075
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: 5, replica: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -169.834996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.834996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.834996 (E_RNA)
where:
Base-Base interactions energy: -111.069
where: short stacking energy: -42.886
Base-Backbone interact. energy: -0.091
local terms energy: -58.675205
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -15.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -142.907794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.907794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.907794 (E_RNA)
where:
Base-Base interactions energy: -92.353
where: short stacking energy: -41.176
Base-Backbone interact. energy: -0.016
local terms energy: -50.538428
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -7.922
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -13.593
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: 2
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -77.746851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.746851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.746851 (E_RNA)
where:
Base-Base interactions energy: -24.661
where: short stacking energy: -24.661
Base-Backbone interact. energy: -0.088
local terms energy: -52.997730
where:
bonds (distance) C4'-P energy: -8.833
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -3.888
tors. eta vs tors. theta energy: -9.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -68.244411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.244411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.244411 (E_RNA)
where:
Base-Base interactions energy: -24.513
where: short stacking energy: -24.513
Base-Backbone interact. energy: -0.067
local terms energy: -43.663861
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -8.687
flat angles P-C4'-P energy: -8.618
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: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -64.812001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.812001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.812001 (E_RNA)
where:
Base-Base interactions energy: -17.376
where: short stacking energy: -14.909
Base-Backbone interact. energy: -0.151
local terms energy: -47.285201
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -7.326
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: 10, replica: 4
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -59.314611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.314611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.314611 (E_RNA)
where:
Base-Base interactions energy: -19.654
where: short stacking energy: -12.117
Base-Backbone interact. energy: -0.096
local terms energy: -39.564499
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -6.770
flat angles P-C4'-P energy: -6.883
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: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -182.687096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.687096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.687096 (E_RNA)
where:
Base-Base interactions energy: -117.931
where: short stacking energy: -48.985
Base-Backbone interact. energy: -0.050
local terms energy: -64.706247
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -6.679
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: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -178.252722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.252722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.252722 (E_RNA)
where:
Base-Base interactions energy: -122.030
where: short stacking energy: -38.813
Base-Backbone interact. energy: -0.001
local terms energy: -56.221505
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -11.231
flat angles P-C4'-P energy: -4.221
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -172.328833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.328833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.328833 (E_RNA)
where:
Base-Base interactions energy: -110.359
where: short stacking energy: -43.337
Base-Backbone interact. energy: -0.140
local terms energy: -61.829922
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -175.705507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.705507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.705507 (E_RNA)
where:
Base-Base interactions energy: -112.834
where: short stacking energy: -43.739
Base-Backbone interact. energy: -0.070
local terms energy: -62.802139
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -161.134126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.134126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.134126 (E_RNA)
where:
Base-Base interactions energy: -105.869
where: short stacking energy: -39.793
Base-Backbone interact. energy: -0.018
local terms energy: -55.247033
where:
bonds (distance) C4'-P energy: -8.258
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -12.490
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: 8
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -151.408357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.408357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.408357 (E_RNA)
where:
Base-Base interactions energy: -100.714
where: short stacking energy: -33.332
Base-Backbone interact. energy: -0.001
local terms energy: -50.693667
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -7.462
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -73.828725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.828725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.828725 (E_RNA)
where:
Base-Base interactions energy: -33.173
where: short stacking energy: -19.855
Base-Backbone interact. energy: -0.178
local terms energy: -40.478391
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -4.731
flat angles P-C4'-P energy: -7.142
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: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -79.708031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.708031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.708031 (E_RNA)
where:
Base-Base interactions energy: -43.271
where: short stacking energy: -13.986
Base-Backbone interact. energy: 0.742
local terms energy: -37.179097
where:
bonds (distance) C4'-P energy: -7.145
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -9.032
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: 1.043
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: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -61.648717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.648717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.648717 (E_RNA)
where:
Base-Base interactions energy: -16.007
where: short stacking energy: -16.007
Base-Backbone interact. energy: 0.075
local terms energy: -45.716521
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: -8.703
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: 10, replica: 4
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -58.071266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.071266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.071266 (E_RNA)
where:
Base-Base interactions energy: -13.539
where: short stacking energy: -10.406
Base-Backbone interact. energy: 0.341
local terms energy: -44.873447
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -4.303
tors. eta vs tors. theta energy: -3.610
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: 422
Temperature: 0.900000
Total energy: -178.477174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.477174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.477174 (E_RNA)
where:
Base-Base interactions energy: -115.875
where: short stacking energy: -44.897
Base-Backbone interact. energy: -0.131
local terms energy: -62.472081
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -177.253756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.253756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.253756 (E_RNA)
where:
Base-Base interactions energy: -113.717
where: short stacking energy: -44.174
Base-Backbone interact. energy: -0.004
local terms energy: -63.532549
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -170.971080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.971080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.971080 (E_RNA)
where:
Base-Base interactions energy: -108.761
where: short stacking energy: -44.288
Base-Backbone interact. energy: -0.001
local terms energy: -62.209493
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -9.192
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: 4, replica: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -166.059856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.059856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.059856 (E_RNA)
where:
Base-Base interactions energy: -109.594
where: short stacking energy: -45.433
Base-Backbone interact. energy: 1.326
local terms energy: -57.792590
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -132.387400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.387400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.387400 (E_RNA)
where:
Base-Base interactions energy: -85.201
where: short stacking energy: -25.230
Base-Backbone interact. energy: -0.120
local terms energy: -47.066676
where:
bonds (distance) C4'-P energy: -7.815
bonds (distance) P-C4' energy: -8.579
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -168.870941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.870941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.870941 (E_RNA)
where:
Base-Base interactions energy: -115.081
where: short stacking energy: -39.409
Base-Backbone interact. energy: -0.724
local terms energy: -53.066461
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -10.072
flat angles P-C4'-P energy: -7.275
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: 7, replica: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -86.943606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.943606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.943606 (E_RNA)
where:
Base-Base interactions energy: -35.448
where: short stacking energy: -19.305
Base-Backbone interact. energy: -0.050
local terms energy: -51.446035
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -6.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -71.015814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.015814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.015814 (E_RNA)
where:
Base-Base interactions energy: -35.995
where: short stacking energy: -9.978
Base-Backbone interact. energy: -0.732
local terms energy: -34.288513
where:
bonds (distance) C4'-P energy: -5.427
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -8.643
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: 1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -65.509601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.509601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.509601 (E_RNA)
where:
Base-Base interactions energy: -24.336
where: short stacking energy: -14.967
Base-Backbone interact. energy: -0.219
local terms energy: -40.954573
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -7.057
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: 10, replica: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -58.989592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.989592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.989592 (E_RNA)
where:
Base-Base interactions energy: -20.625
where: short stacking energy: -19.944
Base-Backbone interact. energy: -0.384
local terms energy: -37.980739
where:
bonds (distance) C4'-P energy: -8.420
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -4.985
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: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -179.602943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.602943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.602943 (E_RNA)
where:
Base-Base interactions energy: -117.886
where: short stacking energy: -44.034
Base-Backbone interact. energy: -0.182
local terms energy: -61.535045
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -14.268
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: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -180.132805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.132805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.132805 (E_RNA)
where:
Base-Base interactions energy: -120.962
where: short stacking energy: -44.964
Base-Backbone interact. energy: -0.073
local terms energy: -59.097262
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -168.877157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.877157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.877157 (E_RNA)
where:
Base-Base interactions energy: -107.590
where: short stacking energy: -46.355
Base-Backbone interact. energy: -0.010
local terms energy: -61.277472
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -12.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -175.369583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.369583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.369583 (E_RNA)
where:
Base-Base interactions energy: -109.812
where: short stacking energy: -44.520
Base-Backbone interact. energy: -0.019
local terms energy: -65.538425
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -16.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -152.793952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.793952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.793952 (E_RNA)
where:
Base-Base interactions energy: -101.109
where: short stacking energy: -36.898
Base-Backbone interact. energy: -0.208
local terms energy: -51.476962
where:
bonds (distance) C4'-P energy: -9.156
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -6.076
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -148.294360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.294360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.294360 (E_RNA)
where:
Base-Base interactions energy: -99.774
where: short stacking energy: -31.949
Base-Backbone interact. energy: 0.035
local terms energy: -48.554865
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -2.321
tors. eta vs tors. theta energy: -9.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -69.056008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.056008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.056008 (E_RNA)
where:
Base-Base interactions energy: -31.431
where: short stacking energy: -28.428
Base-Backbone interact. energy: -0.175
local terms energy: -37.450256
where:
bonds (distance) C4'-P energy: -7.660
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -2.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -63.183018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.183018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.183018 (E_RNA)
where:
Base-Base interactions energy: -19.268
where: short stacking energy: -13.487
Base-Backbone interact. energy: -0.024
local terms energy: -43.890688
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -6.526
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: 2
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -58.009438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.009438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.009438 (E_RNA)
where:
Base-Base interactions energy: -19.282
where: short stacking energy: -12.831
Base-Backbone interact. energy: -0.007
local terms energy: -38.719852
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -3.876
tors. eta vs tors. theta energy: -1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -69.051142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.051142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.051142 (E_RNA)
where:
Base-Base interactions energy: -25.191
where: short stacking energy: -11.444
Base-Backbone interact. energy: -0.194
local terms energy: -43.666277
where:
bonds (distance) C4'-P energy: -8.706
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -177.231904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.231904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.231904 (E_RNA)
where:
Base-Base interactions energy: -112.045
where: short stacking energy: -42.223
Base-Backbone interact. energy: -0.049
local terms energy: -65.137603
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -14.872
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: 2, replica: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -175.297562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.297562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.297562 (E_RNA)
where:
Base-Base interactions energy: -112.441
where: short stacking energy: -45.156
Base-Backbone interact. energy: 0.861
local terms energy: -63.717156
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -17.797
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: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -178.379935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.379935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.379935 (E_RNA)
where:
Base-Base interactions energy: -118.910
where: short stacking energy: -52.386
Base-Backbone interact. energy: -0.552
local terms energy: -58.917632
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -4.908
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: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -170.991042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.991042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.991042 (E_RNA)
where:
Base-Base interactions energy: -109.515
where: short stacking energy: -45.316
Base-Backbone interact. energy: -0.078
local terms energy: -61.398727
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -15.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -156.714891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.714891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.714891 (E_RNA)
where:
Base-Base interactions energy: -100.497
where: short stacking energy: -33.419
Base-Backbone interact. energy: -0.045
local terms energy: -56.173286
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -10.837
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -11.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -121.486259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.486259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.486259 (E_RNA)
where:
Base-Base interactions energy: -74.111
where: short stacking energy: -33.923
Base-Backbone interact. energy: 0.291
local terms energy: -47.665983
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -8.422
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -68.325448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.325448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.325448 (E_RNA)
where:
Base-Base interactions energy: -22.040
where: short stacking energy: -13.903
Base-Backbone interact. energy: -0.032
local terms energy: -46.253710
where:
bonds (distance) C4'-P energy: -7.074
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -67.632318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.632318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.632318 (E_RNA)
where:
Base-Base interactions energy: -20.707
where: short stacking energy: -20.707
Base-Backbone interact. energy: 0.244
local terms energy: -47.169258
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -5.568
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: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -58.162131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.162131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.162131 (E_RNA)
where:
Base-Base interactions energy: -25.086
where: short stacking energy: -11.648
Base-Backbone interact. energy: 0.736
local terms energy: -33.812736
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: 0.525
tors. eta vs tors. theta energy: 1.639
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: 10, replica: 2
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -66.493919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.493919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.493919 (E_RNA)
where:
Base-Base interactions energy: -31.598
where: short stacking energy: -10.800
Base-Backbone interact. energy: 0.083
local terms energy: -34.979087
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -11.551
flat angles C4'-P-C4' energy: -7.396
flat angles P-C4'-P energy: -8.209
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: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -186.946389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.946389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.946389 (E_RNA)
where:
Base-Base interactions energy: -117.302
where: short stacking energy: -50.915
Base-Backbone interact. energy: -0.043
local terms energy: -69.601158
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -18.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -176.790792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.790792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.790792 (E_RNA)
where:
Base-Base interactions energy: -122.424
where: short stacking energy: -44.047
Base-Backbone interact. energy: -0.580
local terms energy: -53.786199
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -3.068
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -176.090871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.090871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.090871 (E_RNA)
where:
Base-Base interactions energy: -119.622
where: short stacking energy: -45.706
Base-Backbone interact. energy: -1.448
local terms energy: -55.020516
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -11.025
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: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -166.651101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.651101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.651101 (E_RNA)
where:
Base-Base interactions energy: -106.783
where: short stacking energy: -39.871
Base-Backbone interact. energy: -0.027
local terms energy: -59.840794
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -167.635792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.635792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.635792 (E_RNA)
where:
Base-Base interactions energy: -110.017
where: short stacking energy: -44.747
Base-Backbone interact. energy: -0.012
local terms energy: -57.606377
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -9.065
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: 6, replica: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -118.305708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.305708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.305708 (E_RNA)
where:
Base-Base interactions energy: -65.952
where: short stacking energy: -23.783
Base-Backbone interact. energy: -0.157
local terms energy: -52.196833
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -5.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -66.484237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.484237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.484237 (E_RNA)
where:
Base-Base interactions energy: -20.879
where: short stacking energy: -12.269
Base-Backbone interact. energy: -0.115
local terms energy: -45.490800
where:
bonds (distance) C4'-P energy: -7.731
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -69.814312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.814312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.814312 (E_RNA)
where:
Base-Base interactions energy: -26.293
where: short stacking energy: -19.585
Base-Backbone interact. energy: -0.103
local terms energy: -43.417870
where:
bonds (distance) C4'-P energy: -9.173
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -1.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -66.387438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.387438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.387438 (E_RNA)
where:
Base-Base interactions energy: -18.663
where: short stacking energy: -17.653
Base-Backbone interact. energy: -0.229
local terms energy: -47.496318
where:
bonds (distance) C4'-P energy: -8.618
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -7.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -58.757042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.757042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.757042 (E_RNA)
where:
Base-Base interactions energy: -17.677
where: short stacking energy: -7.203
Base-Backbone interact. energy: -0.502
local terms energy: -40.577990
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -6.864
flat angles P-C4'-P energy: -7.928
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: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -173.295459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.295459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.295459 (E_RNA)
where:
Base-Base interactions energy: -112.876
where: short stacking energy: -40.938
Base-Backbone interact. energy: -0.703
local terms energy: -59.716590
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -14.658
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: 426
Temperature: 0.950000
Total energy: -179.683232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.683232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.683232 (E_RNA)
where:
Base-Base interactions energy: -118.415
where: short stacking energy: -43.666
Base-Backbone interact. energy: -0.048
local terms energy: -61.220234
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -18.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -173.285430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.285430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.285430 (E_RNA)
where:
Base-Base interactions energy: -111.378
where: short stacking energy: -44.684
Base-Backbone interact. energy: -0.000
local terms energy: -61.907293
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -16.657
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: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -173.496545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.496545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.496545 (E_RNA)
where:
Base-Base interactions energy: -110.392
where: short stacking energy: -46.478
Base-Backbone interact. energy: -0.013
local terms energy: -63.090771
where:
bonds (distance) C4'-P energy: -11.507
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -16.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -167.889916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.889916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.889916 (E_RNA)
where:
Base-Base interactions energy: -111.201
where: short stacking energy: -35.273
Base-Backbone interact. energy: -0.087
local terms energy: -56.602079
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -11.635
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: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -110.827981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.827981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.827981 (E_RNA)
where:
Base-Base interactions energy: -72.783
where: short stacking energy: -32.835
Base-Backbone interact. energy: -0.420
local terms energy: -37.624756
where:
bonds (distance) C4'-P energy: -5.509
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -6.945
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: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -85.374289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.374289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.374289 (E_RNA)
where:
Base-Base interactions energy: -41.501
where: short stacking energy: -11.082
Base-Backbone interact. energy: -0.385
local terms energy: -43.489011
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: 0.488
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: 426
Temperature: 1.250000
Total energy: -64.839714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.839714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.839714 (E_RNA)
where:
Base-Base interactions energy: -26.967
where: short stacking energy: -26.967
Base-Backbone interact. energy: -0.035
local terms energy: -37.837435
where:
bonds (distance) C4'-P energy: -5.180
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -8.658
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -80.519215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.519215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.519215 (E_RNA)
where:
Base-Base interactions energy: -39.486
where: short stacking energy: -20.496
Base-Backbone interact. energy: -0.171
local terms energy: -40.862518
where:
bonds (distance) C4'-P energy: -8.117
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -4.694
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: 9
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -61.278754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.278754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.278754 (E_RNA)
where:
Base-Base interactions energy: -17.894
where: short stacking energy: -12.597
Base-Backbone interact. energy: 1.731
local terms energy: -45.115579
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -8.625
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: 1, replica: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -179.407320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.407320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.407320 (E_RNA)
where:
Base-Base interactions energy: -111.082
where: short stacking energy: -48.811
Base-Backbone interact. energy: -0.004
local terms energy: -68.321303
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -177.799856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.799856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.799856 (E_RNA)
where:
Base-Base interactions energy: -115.462
where: short stacking energy: -46.540
Base-Backbone interact. energy: -0.004
local terms energy: -62.333885
where:
bonds (distance) C4'-P energy: -9.414
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -17.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -180.770990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.770990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.770990 (E_RNA)
where:
Base-Base interactions energy: -114.102
where: short stacking energy: -46.421
Base-Backbone interact. energy: -0.126
local terms energy: -66.543284
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -11.149
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: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -172.718793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.718793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.718793 (E_RNA)
where:
Base-Base interactions energy: -115.568
where: short stacking energy: -37.901
Base-Backbone interact. energy: -0.067
local terms energy: -57.083883
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -9.794
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -13.471
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: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -168.073660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.073660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.073660 (E_RNA)
where:
Base-Base interactions energy: -109.749
where: short stacking energy: -46.704
Base-Backbone interact. energy: -0.060
local terms energy: -58.264243
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -67.820404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.820404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.820404 (E_RNA)
where:
Base-Base interactions energy: -27.607
where: short stacking energy: -12.592
Base-Backbone interact. energy: 0.254
local terms energy: -40.467354
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -3.769
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: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -73.804772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.804772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.804772 (E_RNA)
where:
Base-Base interactions energy: -35.356
where: short stacking energy: -14.535
Base-Backbone interact. energy: -0.082
local terms energy: -38.366542
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: -5.090
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: 8, replica: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -62.123038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.123038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.123038 (E_RNA)
where:
Base-Base interactions energy: -12.121
where: short stacking energy: -12.121
Base-Backbone interact. energy: -0.113
local terms energy: -49.888726
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -3.004
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: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -62.344231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.344231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.344231 (E_RNA)
where:
Base-Base interactions energy: -28.791
where: short stacking energy: -18.044
Base-Backbone interact. energy: -0.006
local terms energy: -33.546915
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -3.763
flat angles P-C4'-P energy: -8.023
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: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -61.420916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.420916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.420916 (E_RNA)
where:
Base-Base interactions energy: -21.167
where: short stacking energy: -16.323
Base-Backbone interact. energy: -0.132
local terms energy: -40.122014
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -9.906
flat angles P-C4'-P energy: -10.048
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: 1, replica: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -183.762979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.762979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.762979 (E_RNA)
where:
Base-Base interactions energy: -116.668
where: short stacking energy: -47.224
Base-Backbone interact. energy: -0.004
local terms energy: -67.090612
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -183.355019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.355019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.355019 (E_RNA)
where:
Base-Base interactions energy: -115.282
where: short stacking energy: -50.498
Base-Backbone interact. energy: -0.003
local terms energy: -68.070528
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -167.311785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.311785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.311785 (E_RNA)
where:
Base-Base interactions energy: -110.443
where: short stacking energy: -39.692
Base-Backbone interact. energy: -0.008
local terms energy: -56.861584
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -13.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -168.852222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.852222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.852222 (E_RNA)
where:
Base-Base interactions energy: -110.871
where: short stacking energy: -44.947
Base-Backbone interact. energy: -0.610
local terms energy: -57.370463
where:
bonds (distance) C4'-P energy: -8.535
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -132.507696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.507696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.507696 (E_RNA)
where:
Base-Base interactions energy: -81.824
where: short stacking energy: -36.562
Base-Backbone interact. energy: -0.620
local terms energy: -50.063369
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -8.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -65.573045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.573045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.573045 (E_RNA)
where:
Base-Base interactions energy: -19.525
where: short stacking energy: -15.034
Base-Backbone interact. energy: -0.023
local terms energy: -46.024733
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -7.656
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: 7, replica: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -77.949924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.949924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.949924 (E_RNA)
where:
Base-Base interactions energy: -34.136
where: short stacking energy: -13.268
Base-Backbone interact. energy: -0.185
local terms energy: -43.628659
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -9.173
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -5.640
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: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -71.079578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.079578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.079578 (E_RNA)
where:
Base-Base interactions energy: -33.167
where: short stacking energy: -14.840
Base-Backbone interact. energy: -0.163
local terms energy: -37.749285
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -8.450
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -2.062
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: 9
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -62.271947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.271947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.271947 (E_RNA)
where:
Base-Base interactions energy: -20.173
where: short stacking energy: -16.079
Base-Backbone interact. energy: -0.099
local terms energy: -41.999307
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -8.176
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: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -61.793418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.793418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.793418 (E_RNA)
where:
Base-Base interactions energy: -28.331
where: short stacking energy: -13.391
Base-Backbone interact. energy: -0.053
local terms energy: -33.409786
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -9.435
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: 3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -184.237033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.237033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.237033 (E_RNA)
where:
Base-Base interactions energy: -118.310
where: short stacking energy: -46.166
Base-Backbone interact. energy: -0.101
local terms energy: -65.825787
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -15.173
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: 2, replica: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -179.434951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.434951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.434951 (E_RNA)
where:
Base-Base interactions energy: -117.442
where: short stacking energy: -48.435
Base-Backbone interact. energy: -0.060
local terms energy: -61.932222
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -16.169
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: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -179.374577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.374577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.374577 (E_RNA)
where:
Base-Base interactions energy: -120.593
where: short stacking energy: -49.640
Base-Backbone interact. energy: -0.094
local terms energy: -58.687331
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -4.845
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: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -150.793605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.793605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.793605 (E_RNA)
where:
Base-Base interactions energy: -98.345
where: short stacking energy: -36.459
Base-Backbone interact. energy: -0.005
local terms energy: -52.444245
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -9.753
flat angles C4'-P-C4' energy: -9.121
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -15.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -165.800717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.800717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.800717 (E_RNA)
where:
Base-Base interactions energy: -103.574
where: short stacking energy: -43.994
Base-Backbone interact. energy: -0.001
local terms energy: -62.225352
where:
bonds (distance) C4'-P energy: -9.339
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -66.355238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.355238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.355238 (E_RNA)
where:
Base-Base interactions energy: -19.084
where: short stacking energy: -18.009
Base-Backbone interact. energy: -0.094
local terms energy: -47.177227
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -8.533
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: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -60.048951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.048951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.048951 (E_RNA)
where:
Base-Base interactions energy: -21.502
where: short stacking energy: -16.971
Base-Backbone interact. energy: 0.334
local terms energy: -38.881321
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -5.957
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: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -62.182904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.182904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.182904 (E_RNA)
where:
Base-Base interactions energy: -19.682
where: short stacking energy: -17.500
Base-Backbone interact. energy: -0.163
local terms energy: -42.337813
where:
bonds (distance) C4'-P energy: -9.032
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -6.155
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: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -59.577055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.577055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.577055 (E_RNA)
where:
Base-Base interactions energy: -21.136
where: short stacking energy: -13.942
Base-Backbone interact. energy: -0.760
local terms energy: -37.681544
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -1.598
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: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -63.418350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.418350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.418350 (E_RNA)
where:
Base-Base interactions energy: -26.845
where: short stacking energy: -13.581
Base-Backbone interact. energy: -0.155
local terms energy: -36.419063
where:
bonds (distance) C4'-P energy: -9.662
bonds (distance) P-C4' energy: -9.899
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -6.750
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: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -183.023879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.023879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.023879 (E_RNA)
where:
Base-Base interactions energy: -116.595
where: short stacking energy: -50.432
Base-Backbone interact. energy: -0.005
local terms energy: -66.424164
where:
bonds (distance) C4'-P energy: -8.570
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -11.263
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: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -173.636980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.636980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.636980 (E_RNA)
where:
Base-Base interactions energy: -116.227
where: short stacking energy: -53.640
Base-Backbone interact. energy: 0.642
local terms energy: -58.051285
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -8.135
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -177.377747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.377747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.377747 (E_RNA)
where:
Base-Base interactions energy: -111.769
where: short stacking energy: -46.953
Base-Backbone interact. energy: -0.027
local terms energy: -65.582015
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -8.500
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: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -172.070810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.070810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.070810 (E_RNA)
where:
Base-Base interactions energy: -116.458
where: short stacking energy: -41.701
Base-Backbone interact. energy: -0.138
local terms energy: -55.474891
where:
bonds (distance) C4'-P energy: -12.013
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -9.070
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -13.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -164.535696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.535696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.535696 (E_RNA)
where:
Base-Base interactions energy: -104.082
where: short stacking energy: -42.134
Base-Backbone interact. energy: -0.092
local terms energy: -60.361619
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -14.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -71.652106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.652106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.652106 (E_RNA)
where:
Base-Base interactions energy: -28.559
where: short stacking energy: -21.097
Base-Backbone interact. energy: -0.003
local terms energy: -43.090358
where:
bonds (distance) C4'-P energy: -5.922
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -71.584533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.584533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.584533 (E_RNA)
where:
Base-Base interactions energy: -23.911
where: short stacking energy: -19.413
Base-Backbone interact. energy: 1.919
local terms energy: -49.592133
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -5.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -65.279161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.279161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.279161 (E_RNA)
where:
Base-Base interactions energy: -24.157
where: short stacking energy: -8.945
Base-Backbone interact. energy: -0.150
local terms energy: -40.971516
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -4.606
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -70.800627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.800627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.800627 (E_RNA)
where:
Base-Base interactions energy: -34.059
where: short stacking energy: -19.147
Base-Backbone interact. energy: -0.857
local terms energy: -35.884235
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -4.427
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -6.793
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: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -59.296616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.296616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.296616 (E_RNA)
where:
Base-Base interactions energy: -15.822
where: short stacking energy: -11.909
Base-Backbone interact. energy: -1.084
local terms energy: -42.391259
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -0.493
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: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -184.787641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.787641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.787641 (E_RNA)
where:
Base-Base interactions energy: -120.566
where: short stacking energy: -42.469
Base-Backbone interact. energy: -0.366
local terms energy: -63.855707
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -9.717
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: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -175.514295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.514295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.514295 (E_RNA)
where:
Base-Base interactions energy: -116.023
where: short stacking energy: -54.146
Base-Backbone interact. energy: -0.008
local terms energy: -59.484017
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -8.365
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -17.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -174.040320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.040320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.040320 (E_RNA)
where:
Base-Base interactions energy: -115.161
where: short stacking energy: -47.325
Base-Backbone interact. energy: -0.600
local terms energy: -58.280045
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -11.319
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -10.772
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: 4, replica: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -171.476824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.476824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.476824 (E_RNA)
where:
Base-Base interactions energy: -113.452
where: short stacking energy: -45.798
Base-Backbone interact. energy: -0.077
local terms energy: -57.948028
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -169.268317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.268317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.268317 (E_RNA)
where:
Base-Base interactions energy: -115.116
where: short stacking energy: -50.844
Base-Backbone interact. energy: -0.000
local terms energy: -54.151516
where:
bonds (distance) C4'-P energy: -9.869
bonds (distance) P-C4' energy: -10.294
flat angles C4'-P-C4' energy: -8.663
flat angles P-C4'-P energy: -10.340
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: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -64.734502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.734502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.734502 (E_RNA)
where:
Base-Base interactions energy: -25.193
where: short stacking energy: -13.435
Base-Backbone interact. energy: -0.331
local terms energy: -39.210247
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -8.007
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -3.678
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: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -68.175087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.175087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.175087 (E_RNA)
where:
Base-Base interactions energy: -20.832
where: short stacking energy: -20.548
Base-Backbone interact. energy: -0.193
local terms energy: -47.150320
where:
bonds (distance) C4'-P energy: -11.298
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -6.908
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: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -63.208522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.208522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.208522 (E_RNA)
where:
Base-Base interactions energy: -23.325
where: short stacking energy: -15.487
Base-Backbone interact. energy: -0.099
local terms energy: -39.785121
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: 2.099
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: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -62.397856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.397856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.397856 (E_RNA)
where:
Base-Base interactions energy: -25.064
where: short stacking energy: -7.765
Base-Backbone interact. energy: -0.258
local terms energy: -37.075564
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -2.456
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -67.375109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.375109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.375109 (E_RNA)
where:
Base-Base interactions energy: -20.578
where: short stacking energy: -20.578
Base-Backbone interact. energy: -0.194
local terms energy: -46.602904
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -8.796
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -178.596073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.596073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.596073 (E_RNA)
where:
Base-Base interactions energy: -120.316
where: short stacking energy: -37.241
Base-Backbone interact. energy: -0.098
local terms energy: -58.182051
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -184.537150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.537150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.537150 (E_RNA)
where:
Base-Base interactions energy: -120.630
where: short stacking energy: -41.274
Base-Backbone interact. energy: 0.196
local terms energy: -64.102595
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -8.313
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: 8
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -172.789051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.789051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.789051 (E_RNA)
where:
Base-Base interactions energy: -113.325
where: short stacking energy: -44.325
Base-Backbone interact. energy: -0.006
local terms energy: -59.457278
where:
bonds (distance) C4'-P energy: -9.173
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -9.592
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: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -170.909654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.909654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.909654 (E_RNA)
where:
Base-Base interactions energy: -114.501
where: short stacking energy: -35.983
Base-Backbone interact. energy: 0.678
local terms energy: -57.087096
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -10.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -167.912512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.912512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.912512 (E_RNA)
where:
Base-Base interactions energy: -109.112
where: short stacking energy: -40.615
Base-Backbone interact. energy: -0.702
local terms energy: -58.098416
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -11.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -68.166226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.166226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.166226 (E_RNA)
where:
Base-Base interactions energy: -32.386
where: short stacking energy: -13.790
Base-Backbone interact. energy: -0.230
local terms energy: -35.550967
where:
bonds (distance) C4'-P energy: -8.478
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -8.936
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: 0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -66.691390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.691390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.691390 (E_RNA)
where:
Base-Base interactions energy: -32.367
where: short stacking energy: -14.621
Base-Backbone interact. energy: -0.227
local terms energy: -34.097392
where:
bonds (distance) C4'-P energy: -9.633
bonds (distance) P-C4' energy: -7.530
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -7.020
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: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -75.065591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.065591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.065591 (E_RNA)
where:
Base-Base interactions energy: -37.515
where: short stacking energy: -12.247
Base-Backbone interact. energy: -0.079
local terms energy: -37.472231
where:
bonds (distance) C4'-P energy: -10.211
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: 1.091
tors. eta vs tors. theta energy: -2.140
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: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -68.262915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.262915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.262915 (E_RNA)
where:
Base-Base interactions energy: -23.281
where: short stacking energy: -23.281
Base-Backbone interact. energy: -0.113
local terms energy: -44.869319
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -6.167
tors. eta vs tors. theta energy: -4.508
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: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -66.521695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.521695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.521695 (E_RNA)
where:
Base-Base interactions energy: -30.459
where: short stacking energy: -9.048
Base-Backbone interact. energy: -0.791
local terms energy: -35.272384
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -9.799
flat angles P-C4'-P energy: -2.841
tors. eta vs tors. theta energy: 1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -179.957806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.957806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.957806 (E_RNA)
where:
Base-Base interactions energy: -121.817
where: short stacking energy: -40.784
Base-Backbone interact. energy: -0.764
local terms energy: -57.376577
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -11.562
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: 8
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -171.094534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.094534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.094534 (E_RNA)
where:
Base-Base interactions energy: -108.629
where: short stacking energy: -40.574
Base-Backbone interact. energy: -1.238
local terms energy: -61.227598
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -11.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -178.797868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.797868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.797868 (E_RNA)
where:
Base-Base interactions energy: -114.900
where: short stacking energy: -47.656
Base-Backbone interact. energy: -0.002
local terms energy: -63.895810
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -7.483
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: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -168.892989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.892989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.892989 (E_RNA)
where:
Base-Base interactions energy: -105.790
where: short stacking energy: -38.059
Base-Backbone interact. energy: -0.128
local terms energy: -62.974225
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -9.570
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: 5, replica: 7
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -166.563380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.563380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.563380 (E_RNA)
where:
Base-Base interactions energy: -103.455
where: short stacking energy: -40.022
Base-Backbone interact. energy: -0.177
local terms energy: -62.930695
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -8.055
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: 6, replica: 2
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -74.219107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.219107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.219107 (E_RNA)
where:
Base-Base interactions energy: -41.024
where: short stacking energy: -10.532
Base-Backbone interact. energy: -0.365
local terms energy: -32.829569
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -8.347
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: 4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -62.309757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.309757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.309757 (E_RNA)
where:
Base-Base interactions energy: -18.933
where: short stacking energy: -9.954
Base-Backbone interact. energy: -0.773
local terms energy: -42.604239
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -2.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -67.062042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.062042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.062042 (E_RNA)
where:
Base-Base interactions energy: -20.531
where: short stacking energy: -20.531
Base-Backbone interact. energy: -0.102
local terms energy: -46.429107
where:
bonds (distance) C4'-P energy: -11.281
bonds (distance) P-C4' energy: -11.481
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -5.543
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: 433
Temperature: 1.300000
Total energy: -57.825666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.825666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.825666 (E_RNA)
where:
Base-Base interactions energy: -19.318
where: short stacking energy: -14.542
Base-Backbone interact. energy: -1.009
local terms energy: -37.498538
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -8.779
flat angles C4'-P-C4' energy: -5.505
flat angles P-C4'-P energy: -9.649
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: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -60.730733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.730733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.730733 (E_RNA)
where:
Base-Base interactions energy: -29.002
where: short stacking energy: -12.503
Base-Backbone interact. energy: -0.309
local terms energy: -31.419625
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -7.238
flat angles P-C4'-P energy: -3.918
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: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -180.805670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.805670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.805670 (E_RNA)
where:
Base-Base interactions energy: -118.064
where: short stacking energy: -47.359
Base-Backbone interact. energy: -0.005
local terms energy: -62.737261
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -171.638544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.638544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.638544 (E_RNA)
where:
Base-Base interactions energy: -112.287
where: short stacking energy: -35.511
Base-Backbone interact. energy: -0.112
local terms energy: -59.239385
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -175.753514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.753514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.753514 (E_RNA)
where:
Base-Base interactions energy: -114.467
where: short stacking energy: -48.327
Base-Backbone interact. energy: -0.005
local terms energy: -61.282202
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -18.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -164.467123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.467123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.467123 (E_RNA)
where:
Base-Base interactions energy: -109.331
where: short stacking energy: -44.183
Base-Backbone interact. energy: -0.072
local terms energy: -55.063396
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -9.498
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -3.508
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -149.843014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.843014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.843014 (E_RNA)
where:
Base-Base interactions energy: -99.958
where: short stacking energy: -30.504
Base-Backbone interact. energy: -0.033
local terms energy: -49.851711
where:
bonds (distance) C4'-P energy: -8.149
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -10.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -83.367625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.367625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.367625 (E_RNA)
where:
Base-Base interactions energy: -39.887
where: short stacking energy: -17.809
Base-Backbone interact. energy: -0.129
local terms energy: -43.351451
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -5.582
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: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -68.233339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.233339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.233339 (E_RNA)
where:
Base-Base interactions energy: -23.204
where: short stacking energy: -10.990
Base-Backbone interact. energy: -0.010
local terms energy: -45.018548
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -61.126626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.126626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.126626 (E_RNA)
where:
Base-Base interactions energy: -18.923
where: short stacking energy: -12.585
Base-Backbone interact. energy: 0.720
local terms energy: -42.923532
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -8.867
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -67.747392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.747392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.747392 (E_RNA)
where:
Base-Base interactions energy: -27.120
where: short stacking energy: -13.759
Base-Backbone interact. energy: -0.277
local terms energy: -40.349856
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -9.794
flat angles P-C4'-P energy: -7.422
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: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -56.245720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.245720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.245720 (E_RNA)
where:
Base-Base interactions energy: -15.407
where: short stacking energy: -11.249
Base-Backbone interact. energy: -0.063
local terms energy: -40.775729
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -8.607
flat angles C4'-P-C4' energy: -7.092
flat angles P-C4'-P energy: -8.173
tors. eta vs tors. theta energy: -5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -180.390447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.390447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.390447 (E_RNA)
where:
Base-Base interactions energy: -115.064
where: short stacking energy: -44.207
Base-Backbone interact. energy: -0.156
local terms energy: -65.171102
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -10.435
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: 2, replica: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -172.023489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.023489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.023489 (E_RNA)
where:
Base-Base interactions energy: -110.726
where: short stacking energy: -42.114
Base-Backbone interact. energy: -0.006
local terms energy: -61.291753
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -7.549
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: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -177.305574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.305574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.305574 (E_RNA)
where:
Base-Base interactions energy: -116.529
where: short stacking energy: -49.681
Base-Backbone interact. energy: -0.002
local terms energy: -60.774534
where:
bonds (distance) C4'-P energy: -8.727
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -9.131
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: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -173.663975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.663975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.663975 (E_RNA)
where:
Base-Base interactions energy: -114.220
where: short stacking energy: -45.361
Base-Backbone interact. energy: -0.012
local terms energy: -59.432041
where:
bonds (distance) C4'-P energy: -11.516
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -121.370543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.370543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.370543 (E_RNA)
where:
Base-Base interactions energy: -69.008
where: short stacking energy: -28.842
Base-Backbone interact. energy: -0.140
local terms energy: -52.223013
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -8.889
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -9.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -68.347328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.347328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.347328 (E_RNA)
where:
Base-Base interactions energy: -23.823
where: short stacking energy: -14.867
Base-Backbone interact. energy: 0.577
local terms energy: -45.101873
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -70.056158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.056158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.056158 (E_RNA)
where:
Base-Base interactions energy: -29.400
where: short stacking energy: -17.245
Base-Backbone interact. energy: -0.059
local terms energy: -40.597270
where:
bonds (distance) C4'-P energy: -6.672
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -61.031433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.031433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.031433 (E_RNA)
where:
Base-Base interactions energy: -23.939
where: short stacking energy: -21.612
Base-Backbone interact. energy: -0.092
local terms energy: -37.000428
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -4.448
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: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -66.435911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.435911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.435911 (E_RNA)
where:
Base-Base interactions energy: -23.342
where: short stacking energy: -15.303
Base-Backbone interact. energy: -0.109
local terms energy: -42.985216
where:
bonds (distance) C4'-P energy: -8.780
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -64.993065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.993065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.993065 (E_RNA)
where:
Base-Base interactions energy: -34.375
where: short stacking energy: -9.956
Base-Backbone interact. energy: -0.148
local terms energy: -30.470247
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -9.309
flat angles C4'-P-C4' energy: -8.213
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: 2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -183.623557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.623557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.623557 (E_RNA)
where:
Base-Base interactions energy: -118.078
where: short stacking energy: -46.908
Base-Backbone interact. energy: -0.025
local terms energy: -65.520902
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -15.481
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: 6
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -181.923669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.923669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.923669 (E_RNA)
where:
Base-Base interactions energy: -119.797
where: short stacking energy: -52.789
Base-Backbone interact. energy: -0.666
local terms energy: -61.460328
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -15.811
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: 5
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -178.003089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.003089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.003089 (E_RNA)
where:
Base-Base interactions energy: -111.693
where: short stacking energy: -45.107
Base-Backbone interact. energy: -0.310
local terms energy: -66.000225
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -6.839
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: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -164.853755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.853755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.853755 (E_RNA)
where:
Base-Base interactions energy: -105.922
where: short stacking energy: -38.292
Base-Backbone interact. energy: -0.073
local terms energy: -58.859106
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -12.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -108.842408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.842408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.842408 (E_RNA)
where:
Base-Base interactions energy: -59.825
where: short stacking energy: -28.647
Base-Backbone interact. energy: 1.517
local terms energy: -50.534869
where:
bonds (distance) C4'-P energy: -11.338
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -7.440
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: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -75.846990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.846990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.846990 (E_RNA)
where:
Base-Base interactions energy: -28.019
where: short stacking energy: -13.453
Base-Backbone interact. energy: 0.171
local terms energy: -47.999280
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -75.569061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.569061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.569061 (E_RNA)
where:
Base-Base interactions energy: -33.369
where: short stacking energy: -12.777
Base-Backbone interact. energy: -0.224
local terms energy: -41.975621
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -60.454904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.454904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.454904 (E_RNA)
where:
Base-Base interactions energy: -18.053
where: short stacking energy: -14.560
Base-Backbone interact. energy: -0.191
local terms energy: -42.210097
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -8.176
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -71.573136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.573136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.573136 (E_RNA)
where:
Base-Base interactions energy: -36.616
where: short stacking energy: -14.935
Base-Backbone interact. energy: -0.250
local terms energy: -34.706993
where:
bonds (distance) C4'-P energy: -9.989
bonds (distance) P-C4' energy: -7.810
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -7.284
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: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -63.887426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.887426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.887426 (E_RNA)
where:
Base-Base interactions energy: -20.846
where: short stacking energy: -9.508
Base-Backbone interact. energy: -0.100
local terms energy: -42.941695
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -0.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -181.212772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.212772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.212772 (E_RNA)
where:
Base-Base interactions energy: -118.679
where: short stacking energy: -46.566
Base-Backbone interact. energy: -0.028
local terms energy: -62.506024
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -7.341
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: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -175.216444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.216444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.216444 (E_RNA)
where:
Base-Base interactions energy: -114.197
where: short stacking energy: -43.459
Base-Backbone interact. energy: -0.009
local terms energy: -61.010503
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -17.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -167.629708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.629708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.629708 (E_RNA)
where:
Base-Base interactions energy: -110.366
where: short stacking energy: -48.071
Base-Backbone interact. energy: -0.599
local terms energy: -56.663745
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -7.097
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: 7
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -85.313247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.313247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.313247 (E_RNA)
where:
Base-Base interactions energy: -38.200
where: short stacking energy: -22.101
Base-Backbone interact. energy: -0.589
local terms energy: -46.524347
where:
bonds (distance) C4'-P energy: -8.481
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -169.792559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.792559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.792559 (E_RNA)
where:
Base-Base interactions energy: -112.769
where: short stacking energy: -43.134
Base-Backbone interact. energy: -0.060
local terms energy: -56.963255
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -9.035
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -68.226934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.226934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.226934 (E_RNA)
where:
Base-Base interactions energy: -26.895
where: short stacking energy: -21.432
Base-Backbone interact. energy: -0.163
local terms energy: -41.168698
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -77.608254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.608254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.608254 (E_RNA)
where:
Base-Base interactions energy: -39.357
where: short stacking energy: -9.798
Base-Backbone interact. energy: -0.295
local terms energy: -37.956836
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -0.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -56.824818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.824818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.824818 (E_RNA)
where:
Base-Base interactions energy: -19.811
where: short stacking energy: -7.567
Base-Backbone interact. energy: -1.043
local terms energy: -35.970920
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -6.940
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: 3.243
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: 2
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -59.313285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.313285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.313285 (E_RNA)
where:
Base-Base interactions energy: -11.930
where: short stacking energy: -11.381
Base-Backbone interact. energy: -0.287
local terms energy: -47.096520
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: 0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -79.754801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.754801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.754801 (E_RNA)
where:
Base-Base interactions energy: -46.067
where: short stacking energy: -21.429
Base-Backbone interact. energy: -0.588
local terms energy: -33.100186
where:
bonds (distance) C4'-P energy: -7.286
bonds (distance) P-C4' energy: -10.258
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -0.304
tors. eta vs tors. theta energy: -3.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -179.121891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.121891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.121891 (E_RNA)
where:
Base-Base interactions energy: -120.066
where: short stacking energy: -46.482
Base-Backbone interact. energy: -0.072
local terms energy: -58.983640
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -7.943
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -18.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -175.949730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.949730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.949730 (E_RNA)
where:
Base-Base interactions energy: -115.915
where: short stacking energy: -47.103
Base-Backbone interact. energy: -0.018
local terms energy: -60.016652
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -5.107
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -173.494532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.494532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.494532 (E_RNA)
where:
Base-Base interactions energy: -110.793
where: short stacking energy: -43.696
Base-Backbone interact. energy: -0.004
local terms energy: -62.697920
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -98.503516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.503516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.503516 (E_RNA)
where:
Base-Base interactions energy: -60.255
where: short stacking energy: -15.785
Base-Backbone interact. energy: -2.928
local terms energy: -35.320616
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -8.781
flat angles P-C4'-P energy: -3.707
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: 5, replica: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -165.432978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.432978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.432978 (E_RNA)
where:
Base-Base interactions energy: -103.687
where: short stacking energy: -43.695
Base-Backbone interact. energy: -0.422
local terms energy: -61.324024
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -82.051336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.051336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.051336 (E_RNA)
where:
Base-Base interactions energy: -34.233
where: short stacking energy: -20.029
Base-Backbone interact. energy: -0.059
local terms energy: -47.759505
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -4.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -68.497037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.497037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.497037 (E_RNA)
where:
Base-Base interactions energy: -30.308
where: short stacking energy: -15.096
Base-Backbone interact. energy: -0.101
local terms energy: -38.087964
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -7.733
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -67.205984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.205984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.205984 (E_RNA)
where:
Base-Base interactions energy: -23.830
where: short stacking energy: -14.084
Base-Backbone interact. energy: -0.200
local terms energy: -43.175774
where:
bonds (distance) C4'-P energy: -8.652
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: 0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -71.681583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.681583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.681583 (E_RNA)
where:
Base-Base interactions energy: -45.189
where: short stacking energy: -10.787
Base-Backbone interact. energy: -0.203
local terms energy: -26.289555
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -5.699
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -1.554
tors. eta vs tors. theta energy: 1.116
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: 10, replica: 2
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -57.869296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.869296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.869296 (E_RNA)
where:
Base-Base interactions energy: -19.359
where: short stacking energy: -15.180
Base-Backbone interact. energy: -0.087
local terms energy: -38.424050
where:
bonds (distance) C4'-P energy: -7.877
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -7.217
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: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -177.183904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.183904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.183904 (E_RNA)
where:
Base-Base interactions energy: -116.197
where: short stacking energy: -41.235
Base-Backbone interact. energy: -0.045
local terms energy: -60.942141
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -5.977
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: 2, replica: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -177.504675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.504675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.504675 (E_RNA)
where:
Base-Base interactions energy: -112.465
where: short stacking energy: -47.398
Base-Backbone interact. energy: -0.010
local terms energy: -65.029347
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -16.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -179.923401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.923401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.923401 (E_RNA)
where:
Base-Base interactions energy: -119.981
where: short stacking energy: -46.157
Base-Backbone interact. energy: -0.417
local terms energy: -59.524729
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -11.146
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -4.222
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -115.691617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.691617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.691617 (E_RNA)
where:
Base-Base interactions energy: -63.948
where: short stacking energy: -19.203
Base-Backbone interact. energy: -1.174
local terms energy: -50.569324
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -6.410
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: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -121.724422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.724422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.724422 (E_RNA)
where:
Base-Base interactions energy: -72.424
where: short stacking energy: -27.223
Base-Backbone interact. energy: -0.394
local terms energy: -48.905996
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -9.725
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -80.530870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.530870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.530870 (E_RNA)
where:
Base-Base interactions energy: -26.550
where: short stacking energy: -26.503
Base-Backbone interact. energy: -0.001
local terms energy: -53.980514
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -9.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -68.246810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.246810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.246810 (E_RNA)
where:
Base-Base interactions energy: -22.486
where: short stacking energy: -19.028
Base-Backbone interact. energy: -0.041
local terms energy: -45.719778
where:
bonds (distance) C4'-P energy: -7.666
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -5.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -64.788378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.788378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.788378 (E_RNA)
where:
Base-Base interactions energy: -22.205
where: short stacking energy: -17.610
Base-Backbone interact. energy: 0.128
local terms energy: -42.711964
where:
bonds (distance) C4'-P energy: -8.533
bonds (distance) P-C4' energy: -8.643
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -7.502
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: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -60.342239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.342239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.342239 (E_RNA)
where:
Base-Base interactions energy: -25.634
where: short stacking energy: -18.331
Base-Backbone interact. energy: -0.470
local terms energy: -34.238406
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -10.300
flat angles C4'-P-C4' energy: -8.726
flat angles P-C4'-P energy: -4.274
tors. eta vs tors. theta energy: -1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -56.466007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.466007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.466007 (E_RNA)
where:
Base-Base interactions energy: -17.221
where: short stacking energy: -12.530
Base-Backbone interact. energy: -0.076
local terms energy: -39.168203
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -9.877
flat angles C4'-P-C4' energy: -10.119
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: 0.520
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: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -182.268893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.268893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.268893 (E_RNA)
where:
Base-Base interactions energy: -115.878
where: short stacking energy: -45.033
Base-Backbone interact. energy: -0.022
local terms energy: -66.368554
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -17.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -178.430585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.430585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.430585 (E_RNA)
where:
Base-Base interactions energy: -113.740
where: short stacking energy: -45.226
Base-Backbone interact. energy: -0.026
local terms energy: -64.664964
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -17.810
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: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -146.147812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.147812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.147812 (E_RNA)
where:
Base-Base interactions energy: -92.914
where: short stacking energy: -25.588
Base-Backbone interact. energy: -0.240
local terms energy: -52.994016
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -11.366
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -173.221410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.221410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.221410 (E_RNA)
where:
Base-Base interactions energy: -117.053
where: short stacking energy: -46.405
Base-Backbone interact. energy: -0.012
local terms energy: -56.156119
where:
bonds (distance) C4'-P energy: -9.004
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -9.491
flat angles P-C4'-P energy: -9.675
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: 5, replica: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -105.492330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.492330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.492330 (E_RNA)
where:
Base-Base interactions energy: -53.619
where: short stacking energy: -21.292
Base-Backbone interact. energy: -0.682
local terms energy: -51.191495
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -9.358
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: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -71.411886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.411886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.411886 (E_RNA)
where:
Base-Base interactions energy: -20.890
where: short stacking energy: -20.890
Base-Backbone interact. energy: -0.966
local terms energy: -49.556133
where:
bonds (distance) C4'-P energy: -10.138
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -7.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -73.283713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.283713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.283713 (E_RNA)
where:
Base-Base interactions energy: -26.438
where: short stacking energy: -19.035
Base-Backbone interact. energy: -0.960
local terms energy: -45.885989
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -1.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -72.919149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.919149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.919149 (E_RNA)
where:
Base-Base interactions energy: -29.768
where: short stacking energy: -12.580
Base-Backbone interact. energy: -0.054
local terms energy: -43.097356
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -62.957950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.957950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.957950 (E_RNA)
where:
Base-Base interactions energy: -23.797
where: short stacking energy: -15.297
Base-Backbone interact. energy: -0.700
local terms energy: -38.460539
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: 2.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -60.051178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.051178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.051178 (E_RNA)
where:
Base-Base interactions energy: -14.730
where: short stacking energy: -14.730
Base-Backbone interact. energy: -0.103
local terms energy: -45.218207
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -14.693
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: 0.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -179.171516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.171516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.171516 (E_RNA)
where:
Base-Base interactions energy: -114.475
where: short stacking energy: -44.387
Base-Backbone interact. energy: 0.000
local terms energy: -64.696838
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -15.910
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: 2, replica: 8
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -145.630249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.630249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.630249 (E_RNA)
where:
Base-Base interactions energy: -98.972
where: short stacking energy: -30.258
Base-Backbone interact. energy: 0.515
local terms energy: -47.174077
where:
bonds (distance) C4'-P energy: -9.711
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -7.460
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -9.461
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: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -161.489500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.489500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.489500 (E_RNA)
where:
Base-Base interactions energy: -105.851
where: short stacking energy: -43.712
Base-Backbone interact. energy: -0.146
local terms energy: -55.493146
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -8.476
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -11.881
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: 441
Temperature: 1.050000
Total energy: -172.525015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.525015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.525015 (E_RNA)
where:
Base-Base interactions energy: -111.649
where: short stacking energy: -46.111
Base-Backbone interact. energy: -0.844
local terms energy: -60.031874
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -123.337908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.337908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.337908 (E_RNA)
where:
Base-Base interactions energy: -83.443
where: short stacking energy: -27.763
Base-Backbone interact. energy: -0.530
local terms energy: -39.364608
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -8.458
flat angles P-C4'-P energy: -4.197
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -115.865575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.865575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.865575 (E_RNA)
where:
Base-Base interactions energy: -63.699
where: short stacking energy: -22.909
Base-Backbone interact. energy: -0.020
local terms energy: -52.146884
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -6.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -65.536741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.536741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.536741 (E_RNA)
where:
Base-Base interactions energy: -17.265
where: short stacking energy: -17.265
Base-Backbone interact. energy: -0.032
local terms energy: -48.239108
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -9.155
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -65.582164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.582164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.582164 (E_RNA)
where:
Base-Base interactions energy: -29.674
where: short stacking energy: -21.036
Base-Backbone interact. energy: -0.093
local terms energy: -35.815220
where:
bonds (distance) C4'-P energy: -8.254
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -4.652
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: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -63.247414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.247414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.247414 (E_RNA)
where:
Base-Base interactions energy: -26.599
where: short stacking energy: -17.782
Base-Backbone interact. energy: -0.292
local terms energy: -36.355830
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -2.845
tors. eta vs tors. theta energy: -0.000
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: 10, replica: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -60.590350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.590350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.590350 (E_RNA)
where:
Base-Base interactions energy: -19.227
where: short stacking energy: -15.590
Base-Backbone interact. energy: 1.257
local terms energy: -42.620060
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -181.520219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.520219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.520219 (E_RNA)
where:
Base-Base interactions energy: -125.623
where: short stacking energy: -43.980
Base-Backbone interact. energy: -0.057
local terms energy: -55.840655
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -16.616
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: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -133.245778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.245778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.245778 (E_RNA)
where:
Base-Base interactions energy: -73.008
where: short stacking energy: -36.278
Base-Backbone interact. energy: -0.024
local terms energy: -60.213860
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -16.754
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: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -174.556836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.556836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.556836 (E_RNA)
where:
Base-Base interactions energy: -114.153
where: short stacking energy: -42.989
Base-Backbone interact. energy: -0.047
local terms energy: -60.356512
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -16.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -173.852553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.852553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.852553 (E_RNA)
where:
Base-Base interactions energy: -114.848
where: short stacking energy: -51.838
Base-Backbone interact. energy: -0.027
local terms energy: -58.976967
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -128.314156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.314156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.314156 (E_RNA)
where:
Base-Base interactions energy: -78.295
where: short stacking energy: -26.278
Base-Backbone interact. energy: -0.684
local terms energy: -49.334791
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -7.610
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -9.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -89.859507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.859507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.859507 (E_RNA)
where:
Base-Base interactions energy: -44.075
where: short stacking energy: -16.731
Base-Backbone interact. energy: -0.564
local terms energy: -45.220296
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -68.477722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.477722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.477722 (E_RNA)
where:
Base-Base interactions energy: -27.417
where: short stacking energy: -19.314
Base-Backbone interact. energy: -0.104
local terms energy: -40.956976
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -7.360
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -64.857744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.857744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.857744 (E_RNA)
where:
Base-Base interactions energy: -19.926
where: short stacking energy: -19.926
Base-Backbone interact. energy: -0.081
local terms energy: -44.851003
where:
bonds (distance) C4'-P energy: -9.856
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -70.255223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.255223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.255223 (E_RNA)
where:
Base-Base interactions energy: -36.872
where: short stacking energy: -18.643
Base-Backbone interact. energy: 0.342
local terms energy: -33.725562
where:
bonds (distance) C4'-P energy: -9.338
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -6.649
flat angles P-C4'-P energy: -3.421
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: 10, replica: 4
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -54.142819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.142819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.142819 (E_RNA)
where:
Base-Base interactions energy: -11.153
where: short stacking energy: -8.963
Base-Backbone interact. energy: -0.041
local terms energy: -42.948436
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -3.136
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -182.584028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.584028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.584028 (E_RNA)
where:
Base-Base interactions energy: -114.138
where: short stacking energy: -48.260
Base-Backbone interact. energy: -0.322
local terms energy: -68.124028
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -17.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -176.691659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.691659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.691659 (E_RNA)
where:
Base-Base interactions energy: -120.223
where: short stacking energy: -44.965
Base-Backbone interact. energy: -0.001
local terms energy: -56.467575
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -13.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -147.676912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.676912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.676912 (E_RNA)
where:
Base-Base interactions energy: -90.486
where: short stacking energy: -29.758
Base-Backbone interact. energy: 1.099
local terms energy: -58.290386
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -13.670
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: 7
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -165.759162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.759162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.759162 (E_RNA)
where:
Base-Base interactions energy: -112.449
where: short stacking energy: -41.288
Base-Backbone interact. energy: -0.196
local terms energy: -53.113990
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -13.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -167.535517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.535517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.535517 (E_RNA)
where:
Base-Base interactions energy: -107.430
where: short stacking energy: -42.708
Base-Backbone interact. energy: -0.004
local terms energy: -60.100938
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -17.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -94.965056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.965056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.965056 (E_RNA)
where:
Base-Base interactions energy: -51.160
where: short stacking energy: -17.178
Base-Backbone interact. energy: -0.469
local terms energy: -43.335545
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -5.562
flat angles P-C4'-P energy: -8.166
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: 7, replica: 2
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -74.978885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.978885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.978885 (E_RNA)
where:
Base-Base interactions energy: -26.461
where: short stacking energy: -14.149
Base-Backbone interact. energy: 0.135
local terms energy: -48.653701
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -1.927
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: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -63.160923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.160923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.160923 (E_RNA)
where:
Base-Base interactions energy: -20.462
where: short stacking energy: -13.602
Base-Backbone interact. energy: -0.128
local terms energy: -42.571286
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -84.436650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.436650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.436650 (E_RNA)
where:
Base-Base interactions energy: -35.090
where: short stacking energy: -21.870
Base-Backbone interact. energy: -0.041
local terms energy: -49.305968
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -3.901
tors. eta vs tors. theta energy: -8.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -57.513573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.513573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.513573 (E_RNA)
where:
Base-Base interactions energy: -24.507
where: short stacking energy: -13.310
Base-Backbone interact. energy: -0.129
local terms energy: -32.877099
where:
bonds (distance) C4'-P energy: -5.852
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -8.141
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -184.988809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.988809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.988809 (E_RNA)
where:
Base-Base interactions energy: -121.492
where: short stacking energy: -48.649
Base-Backbone interact. energy: -0.279
local terms energy: -63.217636
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -179.493183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.493183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.493183 (E_RNA)
where:
Base-Base interactions energy: -115.631
where: short stacking energy: -48.827
Base-Backbone interact. energy: -0.027
local terms energy: -63.834945
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -176.586033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.586033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.586033 (E_RNA)
where:
Base-Base interactions energy: -116.282
where: short stacking energy: -39.512
Base-Backbone interact. energy: -0.141
local terms energy: -60.162753
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -8.601
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -16.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -138.849375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.849375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.849375 (E_RNA)
where:
Base-Base interactions energy: -90.097
where: short stacking energy: -35.385
Base-Backbone interact. energy: 0.139
local terms energy: -48.891632
where:
bonds (distance) C4'-P energy: -10.737
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -8.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -153.852633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.852633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.852633 (E_RNA)
where:
Base-Base interactions energy: -98.296
where: short stacking energy: -36.746
Base-Backbone interact. energy: -0.243
local terms energy: -55.314479
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -9.258
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -11.966
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: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -71.058733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.058733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.058733 (E_RNA)
where:
Base-Base interactions energy: -31.141
where: short stacking energy: -18.586
Base-Backbone interact. energy: 0.743
local terms energy: -40.661260
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -2.907
tors. eta vs tors. theta energy: -1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -67.233440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.233440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.233440 (E_RNA)
where:
Base-Base interactions energy: -27.353
where: short stacking energy: -13.029
Base-Backbone interact. energy: 0.362
local terms energy: -40.242341
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: 0.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -69.032089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.032089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.032089 (E_RNA)
where:
Base-Base interactions energy: -24.257
where: short stacking energy: -10.797
Base-Backbone interact. energy: -1.039
local terms energy: -43.736599
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -7.763
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: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -69.580176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.580176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.580176 (E_RNA)
where:
Base-Base interactions energy: -25.175
where: short stacking energy: -19.310
Base-Backbone interact. energy: 1.141
local terms energy: -45.545307
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -5.965
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -9.049
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: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -62.548954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.548954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.548954 (E_RNA)
where:
Base-Base interactions energy: -15.859
where: short stacking energy: -15.859
Base-Backbone interact. energy: -0.655
local terms energy: -46.035317
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -181.675163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.675163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.675163 (E_RNA)
where:
Base-Base interactions energy: -115.705
where: short stacking energy: -41.097
Base-Backbone interact. energy: -0.012
local terms energy: -65.958187
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -10.386
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: 2, replica: 7
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -174.013163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.013163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.013163 (E_RNA)
where:
Base-Base interactions energy: -116.829
where: short stacking energy: -44.414
Base-Backbone interact. energy: -0.011
local terms energy: -57.173488
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -11.783
flat angles C4'-P-C4' energy: -8.627
flat angles P-C4'-P energy: -11.326
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: 6
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -177.508798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.508798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.508798 (E_RNA)
where:
Base-Base interactions energy: -115.734
where: short stacking energy: -44.912
Base-Backbone interact. energy: -0.359
local terms energy: -61.416484
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -10.253
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -18.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -172.246831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.246831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.246831 (E_RNA)
where:
Base-Base interactions energy: -111.419
where: short stacking energy: -41.077
Base-Backbone interact. energy: -0.127
local terms energy: -60.701018
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -129.723936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.723936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.723936 (E_RNA)
where:
Base-Base interactions energy: -90.481
where: short stacking energy: -26.495
Base-Backbone interact. energy: -0.057
local terms energy: -39.185788
where:
bonds (distance) C4'-P energy: -9.774
bonds (distance) P-C4' energy: -10.428
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -3.745
tors. eta vs tors. theta energy: -4.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -85.510775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.510775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.510775 (E_RNA)
where:
Base-Base interactions energy: -47.227
where: short stacking energy: -20.705
Base-Backbone interact. energy: 0.506
local terms energy: -38.789810
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -9.071
flat angles C4'-P-C4' energy: -8.832
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -88.440884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.440884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.440884 (E_RNA)
where:
Base-Base interactions energy: -42.574
where: short stacking energy: -24.545
Base-Backbone interact. energy: -0.101
local terms energy: -45.765100
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -12.435
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -8.123
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: 8, replica: 2
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -74.259282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.259282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.259282 (E_RNA)
where:
Base-Base interactions energy: -30.511
where: short stacking energy: -10.140
Base-Backbone interact. energy: 1.416
local terms energy: -45.164629
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -62.222586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.222586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.222586 (E_RNA)
where:
Base-Base interactions energy: -18.740
where: short stacking energy: -17.617
Base-Backbone interact. energy: -0.128
local terms energy: -43.354488
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -10.769
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -8.065
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: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -57.897259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.897259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.897259 (E_RNA)
where:
Base-Base interactions energy: -17.780
where: short stacking energy: -17.780
Base-Backbone interact. energy: -0.055
local terms energy: -40.062284
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -6.287
flat angles P-C4'-P energy: -6.783
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: 1, replica: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -174.514510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.514510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.514510 (E_RNA)
where:
Base-Base interactions energy: -114.887
where: short stacking energy: -42.656
Base-Backbone interact. energy: -0.001
local terms energy: -59.626785
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -15.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -181.636797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.636797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.636797 (E_RNA)
where:
Base-Base interactions energy: -122.097
where: short stacking energy: -50.383
Base-Backbone interact. energy: -0.279
local terms energy: -59.260674
where:
bonds (distance) C4'-P energy: -9.020
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -7.094
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: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -178.311387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.311387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.311387 (E_RNA)
where:
Base-Base interactions energy: -119.846
where: short stacking energy: -50.675
Base-Backbone interact. energy: -0.003
local terms energy: -58.462101
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -6.828
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -169.809368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.809368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.809368 (E_RNA)
where:
Base-Base interactions energy: -111.208
where: short stacking energy: -39.825
Base-Backbone interact. energy: -0.239
local terms energy: -58.362445
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -14.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -68.887113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.887113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.887113 (E_RNA)
where:
Base-Base interactions energy: -25.208
where: short stacking energy: -17.031
Base-Backbone interact. energy: -0.030
local terms energy: -43.648445
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -8.523
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: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -132.541795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.541795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.541795 (E_RNA)
where:
Base-Base interactions energy: -97.611
where: short stacking energy: -22.833
Base-Backbone interact. energy: 0.115
local terms energy: -35.046080
where:
bonds (distance) C4'-P energy: -7.672
bonds (distance) P-C4' energy: -8.178
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: -5.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -69.856773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.856773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.856773 (E_RNA)
where:
Base-Base interactions energy: -30.762
where: short stacking energy: -22.128
Base-Backbone interact. energy: -0.184
local terms energy: -38.910647
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -9.350
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -3.700
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: 446
Temperature: 1.250000
Total energy: -65.523497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.523497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.523497 (E_RNA)
where:
Base-Base interactions energy: -26.791
where: short stacking energy: -18.763
Base-Backbone interact. energy: -0.056
local terms energy: -38.676287
where:
bonds (distance) C4'-P energy: -9.447
bonds (distance) P-C4' energy: -10.219
flat angles C4'-P-C4' energy: -10.392
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -64.527013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.527013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.527013 (E_RNA)
where:
Base-Base interactions energy: -27.028
where: short stacking energy: -9.092
Base-Backbone interact. energy: -0.803
local terms energy: -36.695362
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -1.927
tors. eta vs tors. theta energy: 5.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -58.647791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.647791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.647791 (E_RNA)
where:
Base-Base interactions energy: -25.092
where: short stacking energy: -12.174
Base-Backbone interact. energy: 0.020
local terms energy: -33.576201
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -7.191
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: 1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -179.007742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.007742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.007742 (E_RNA)
where:
Base-Base interactions energy: -121.560
where: short stacking energy: -48.705
Base-Backbone interact. energy: 0.084
local terms energy: -57.531891
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -8.598
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -178.891856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.891856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.891856 (E_RNA)
where:
Base-Base interactions energy: -112.720
where: short stacking energy: -45.816
Base-Backbone interact. energy: -0.003
local terms energy: -66.167974
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -8.756
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: 5
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -175.617241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.617241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.617241 (E_RNA)
where:
Base-Base interactions energy: -113.551
where: short stacking energy: -47.256
Base-Backbone interact. energy: -0.166
local terms energy: -61.900720
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -10.058
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -11.492
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: 4, replica: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -156.323968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.323968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.323968 (E_RNA)
where:
Base-Base interactions energy: -98.033
where: short stacking energy: -37.664
Base-Backbone interact. energy: 0.145
local terms energy: -58.436024
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -13.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -87.779651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.779651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.779651 (E_RNA)
where:
Base-Base interactions energy: -41.332
where: short stacking energy: -25.251
Base-Backbone interact. energy: 1.288
local terms energy: -47.735131
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -5.413
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: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -131.031907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.031907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.031907 (E_RNA)
where:
Base-Base interactions energy: -78.000
where: short stacking energy: -27.075
Base-Backbone interact. energy: -0.022
local terms energy: -53.010532
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -2.471
tors. eta vs tors. theta energy: -12.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -81.119670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.119670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.119670 (E_RNA)
where:
Base-Base interactions energy: -38.315
where: short stacking energy: -12.250
Base-Backbone interact. energy: 0.982
local terms energy: -43.786782
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -5.821
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: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -74.988695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.988695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.988695 (E_RNA)
where:
Base-Base interactions energy: -21.016
where: short stacking energy: -21.016
Base-Backbone interact. energy: -0.066
local terms energy: -53.907270
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -8.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -64.332925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.332925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.332925 (E_RNA)
where:
Base-Base interactions energy: -19.235
where: short stacking energy: -16.237
Base-Backbone interact. energy: -0.084
local terms energy: -45.013626
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -9.773
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: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -61.968582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.968582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.968582 (E_RNA)
where:
Base-Base interactions energy: -23.250
where: short stacking energy: -10.652
Base-Backbone interact. energy: -0.294
local terms energy: -38.424557
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -11.442
flat angles C4'-P-C4' energy: -6.901
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: 0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -182.438189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.438189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.438189 (E_RNA)
where:
Base-Base interactions energy: -118.663
where: short stacking energy: -48.602
Base-Backbone interact. energy: -0.097
local terms energy: -63.677390
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -9.743
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: 2, replica: 7
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -180.052507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.052507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.052507 (E_RNA)
where:
Base-Base interactions energy: -114.071
where: short stacking energy: -44.954
Base-Backbone interact. energy: -0.655
local terms energy: -65.326796
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -171.288612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.288612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.288612 (E_RNA)
where:
Base-Base interactions energy: -108.695
where: short stacking energy: -44.302
Base-Backbone interact. energy: -0.001
local terms energy: -62.591837
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -8.057
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: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -174.613741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.613741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.613741 (E_RNA)
where:
Base-Base interactions energy: -108.463
where: short stacking energy: -40.803
Base-Backbone interact. energy: -0.072
local terms energy: -66.078232
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -141.215433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.215433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.215433 (E_RNA)
where:
Base-Base interactions energy: -89.968
where: short stacking energy: -36.455
Base-Backbone interact. energy: -0.060
local terms energy: -51.187384
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -86.350739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.350739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.350739 (E_RNA)
where:
Base-Base interactions energy: -38.363
where: short stacking energy: -23.672
Base-Backbone interact. energy: -0.497
local terms energy: -47.490929
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -6.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -76.483366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.483366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.483366 (E_RNA)
where:
Base-Base interactions energy: -25.811
where: short stacking energy: -25.811
Base-Backbone interact. energy: -0.011
local terms energy: -50.660892
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -8.076
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: 2
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -63.610456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.610456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.610456 (E_RNA)
where:
Base-Base interactions energy: -21.943
where: short stacking energy: -20.027
Base-Backbone interact. energy: -0.159
local terms energy: -41.508181
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -7.941
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: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -71.225206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.225206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.225206 (E_RNA)
where:
Base-Base interactions energy: -28.712
where: short stacking energy: -18.486
Base-Backbone interact. energy: -0.786
local terms energy: -41.726851
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: 1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -60.149581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.149581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.149581 (E_RNA)
where:
Base-Base interactions energy: -21.086
where: short stacking energy: -18.830
Base-Backbone interact. energy: -0.080
local terms energy: -38.983835
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -8.852
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -178.558495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.558495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.558495 (E_RNA)
where:
Base-Base interactions energy: -115.245
where: short stacking energy: -44.846
Base-Backbone interact. energy: -0.294
local terms energy: -63.019414
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -12.987
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -9.749
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: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -179.450892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.450892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.450892 (E_RNA)
where:
Base-Base interactions energy: -116.335
where: short stacking energy: -43.273
Base-Backbone interact. energy: -0.118
local terms energy: -62.998294
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -173.851323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.851323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.851323 (E_RNA)
where:
Base-Base interactions energy: -112.892
where: short stacking energy: -43.162
Base-Backbone interact. energy: -0.044
local terms energy: -60.915302
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -8.920
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: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -173.183502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.183502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.183502 (E_RNA)
where:
Base-Base interactions energy: -109.496
where: short stacking energy: -43.543
Base-Backbone interact. energy: -0.294
local terms energy: -63.392947
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -11.234
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -129.510795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.510795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.510795 (E_RNA)
where:
Base-Base interactions energy: -81.117
where: short stacking energy: -28.426
Base-Backbone interact. energy: -0.413
local terms energy: -47.980812
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -8.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -72.040504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.040504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.040504 (E_RNA)
where:
Base-Base interactions energy: -30.975
where: short stacking energy: -19.522
Base-Backbone interact. energy: -0.080
local terms energy: -40.985067
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -8.715
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -72.526270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.526270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.526270 (E_RNA)
where:
Base-Base interactions energy: -20.201
where: short stacking energy: -19.617
Base-Backbone interact. energy: -0.008
local terms energy: -52.316761
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -9.047
flat angles P-C4'-P energy: -8.941
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: 8, replica: 10
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -55.385975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.385975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.385975 (E_RNA)
where:
Base-Base interactions energy: -13.148
where: short stacking energy: -13.148
Base-Backbone interact. energy: -0.135
local terms energy: -42.103092
where:
bonds (distance) C4'-P energy: -5.601
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -59.842659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.842659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.842659 (E_RNA)
where:
Base-Base interactions energy: -22.688
where: short stacking energy: -22.688
Base-Backbone interact. energy: -0.151
local terms energy: -37.003886
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -10.181
flat angles C4'-P-C4' energy: -5.129
flat angles P-C4'-P energy: -8.894
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: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -57.986529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.986529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.986529 (E_RNA)
where:
Base-Base interactions energy: -18.500
where: short stacking energy: -13.357
Base-Backbone interact. energy: -0.081
local terms energy: -39.405037
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -7.743
flat angles P-C4'-P energy: -3.900
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: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -180.584467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.584467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.584467 (E_RNA)
where:
Base-Base interactions energy: -122.724
where: short stacking energy: -39.134
Base-Backbone interact. energy: -0.537
local terms energy: -57.323769
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -177.837674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.837674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.837674 (E_RNA)
where:
Base-Base interactions energy: -117.582
where: short stacking energy: -46.812
Base-Backbone interact. energy: -0.635
local terms energy: -59.620260
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -8.319
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: 3, replica: 6
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -179.973685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.973685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.973685 (E_RNA)
where:
Base-Base interactions energy: -117.543
where: short stacking energy: -45.034
Base-Backbone interact. energy: -0.021
local terms energy: -62.409030
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -9.476
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -18.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -165.533875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.533875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.533875 (E_RNA)
where:
Base-Base interactions energy: -113.205
where: short stacking energy: -33.778
Base-Backbone interact. energy: -0.021
local terms energy: -52.308597
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -9.570
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -9.311
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: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -154.545757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.545757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.545757 (E_RNA)
where:
Base-Base interactions energy: -100.106
where: short stacking energy: -34.847
Base-Backbone interact. energy: -0.106
local terms energy: -54.333912
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -10.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -73.831610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.831610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.831610 (E_RNA)
where:
Base-Base interactions energy: -36.850
where: short stacking energy: -14.906
Base-Backbone interact. energy: 0.108
local terms energy: -37.090103
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -7.762
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: -0.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -82.317387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.317387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.317387 (E_RNA)
where:
Base-Base interactions energy: -41.488
where: short stacking energy: -19.678
Base-Backbone interact. energy: -0.657
local terms energy: -40.172180
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -9.094
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -63.609424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.609424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.609424 (E_RNA)
where:
Base-Base interactions energy: -19.166
where: short stacking energy: -12.332
Base-Backbone interact. energy: -0.191
local terms energy: -44.251866
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -4.255
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: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -66.679128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.679128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.679128 (E_RNA)
where:
Base-Base interactions energy: -27.851
where: short stacking energy: -15.732
Base-Backbone interact. energy: 0.216
local terms energy: -39.044081
where:
bonds (distance) C4'-P energy: -7.894
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -7.773
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: 10, replica: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -68.056084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.056084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.056084 (E_RNA)
where:
Base-Base interactions energy: -25.476
where: short stacking energy: -11.768
Base-Backbone interact. energy: -1.158
local terms energy: -41.422038
where:
bonds (distance) C4'-P energy: -10.548
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -181.468503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.468503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.468503 (E_RNA)
where:
Base-Base interactions energy: -120.070
where: short stacking energy: -47.090
Base-Backbone interact. energy: -0.042
local terms energy: -61.356878
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -14.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -179.974871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.974871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.974871 (E_RNA)
where:
Base-Base interactions energy: -114.903
where: short stacking energy: -40.277
Base-Backbone interact. energy: 0.307
local terms energy: -65.378874
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -17.931
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: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -177.002647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.002647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.002647 (E_RNA)
where:
Base-Base interactions energy: -120.465
where: short stacking energy: -38.455
Base-Backbone interact. energy: -0.148
local terms energy: -56.389477
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -9.805
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -170.840715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.840715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.840715 (E_RNA)
where:
Base-Base interactions energy: -112.744
where: short stacking energy: -43.396
Base-Backbone interact. energy: -0.258
local terms energy: -57.838869
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -13.651
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: 5, replica: 7
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -159.030758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.030758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.030758 (E_RNA)
where:
Base-Base interactions energy: -100.335
where: short stacking energy: -36.400
Base-Backbone interact. energy: -0.042
local terms energy: -58.653486
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -8.805
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -13.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -80.903763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.903763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.903763 (E_RNA)
where:
Base-Base interactions energy: -34.586
where: short stacking energy: -23.551
Base-Backbone interact. energy: -0.026
local terms energy: -46.292179
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -10.773
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -4.942
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: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -68.261151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.261151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.261151 (E_RNA)
where:
Base-Base interactions energy: -30.117
where: short stacking energy: -12.492
Base-Backbone interact. energy: -0.831
local terms energy: -37.312300
where:
bonds (distance) C4'-P energy: -6.383
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -67.001343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.001343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.001343 (E_RNA)
where:
Base-Base interactions energy: -30.657
where: short stacking energy: -16.599
Base-Backbone interact. energy: -0.242
local terms energy: -36.102682
where:
bonds (distance) C4'-P energy: -5.347
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -68.487373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.487373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.487373 (E_RNA)
where:
Base-Base interactions energy: -23.239
where: short stacking energy: -15.006
Base-Backbone interact. energy: -0.251
local terms energy: -44.997244
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -3.361
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: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -51.784713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.784713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.784713 (E_RNA)
where:
Base-Base interactions energy: -17.510
where: short stacking energy: -5.643
Base-Backbone interact. energy: -0.259
local terms energy: -34.015794
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -6.660
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: 2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -176.680612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.680612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.680612 (E_RNA)
where:
Base-Base interactions energy: -113.574
where: short stacking energy: -48.475
Base-Backbone interact. energy: -0.002
local terms energy: -63.104939
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -6.602
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: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -182.038651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.038651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.038651 (E_RNA)
where:
Base-Base interactions energy: -129.339
where: short stacking energy: -47.692
Base-Backbone interact. energy: -0.088
local terms energy: -52.611665
where:
bonds (distance) C4'-P energy: -6.939
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -183.093668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.093668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.093668 (E_RNA)
where:
Base-Base interactions energy: -118.091
where: short stacking energy: -40.489
Base-Backbone interact. energy: -0.159
local terms energy: -64.843137
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -13.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -165.416012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.416012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.416012 (E_RNA)
where:
Base-Base interactions energy: -116.564
where: short stacking energy: -40.264
Base-Backbone interact. energy: -0.737
local terms energy: -48.115234
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -10.430
flat angles C4'-P-C4' energy: -8.271
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -13.795
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: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -169.517080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.517080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.517080 (E_RNA)
where:
Base-Base interactions energy: -113.585
where: short stacking energy: -38.173
Base-Backbone interact. energy: -0.036
local terms energy: -55.896511
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -9.478
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -7.746
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: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -98.360618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.360618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.360618 (E_RNA)
where:
Base-Base interactions energy: -55.954
where: short stacking energy: -26.060
Base-Backbone interact. energy: 0.492
local terms energy: -42.898177
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -9.138
flat angles C4'-P-C4' energy: -6.462
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -70.822220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.822220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.822220 (E_RNA)
where:
Base-Base interactions energy: -35.221
where: short stacking energy: -21.521
Base-Backbone interact. energy: -0.203
local terms energy: -35.398726
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -8.864
flat angles C4'-P-C4' energy: -9.251
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -0.756
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: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -58.062793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.062793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.062793 (E_RNA)
where:
Base-Base interactions energy: -16.186
where: short stacking energy: -14.129
Base-Backbone interact. energy: -0.248
local terms energy: -41.628341
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -4.424
tors. eta vs tors. theta energy: -2.059
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: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -66.455034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.455034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.455034 (E_RNA)
where:
Base-Base interactions energy: -36.284
where: short stacking energy: -12.430
Base-Backbone interact. energy: -0.488
local terms energy: -29.682856
where:
bonds (distance) C4'-P energy: -9.041
bonds (distance) P-C4' energy: -8.570
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: 5.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -67.161397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.161397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.161397 (E_RNA)
where:
Base-Base interactions energy: -27.910
where: short stacking energy: -19.299
Base-Backbone interact. energy: -0.082
local terms energy: -39.169975
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -7.859
flat angles P-C4'-P energy: -3.275
tors. eta vs tors. theta energy: -6.797
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: 6
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -180.162659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.162659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.162659 (E_RNA)
where:
Base-Base interactions energy: -115.810
where: short stacking energy: -46.366
Base-Backbone interact. energy: -0.022
local terms energy: -64.330964
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -8.983
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: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -174.396253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.396253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.396253 (E_RNA)
where:
Base-Base interactions energy: -115.878
where: short stacking energy: -35.138
Base-Backbone interact. energy: 0.869
local terms energy: -59.387508
where:
bonds (distance) C4'-P energy: -9.820
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -172.148950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.148950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.148950 (E_RNA)
where:
Base-Base interactions energy: -116.415
where: short stacking energy: -44.788
Base-Backbone interact. energy: -0.181
local terms energy: -55.553396
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -9.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -172.453210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.453210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.453210 (E_RNA)
where:
Base-Base interactions energy: -116.660
where: short stacking energy: -49.972
Base-Backbone interact. energy: -0.001
local terms energy: -55.792935
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -7.326
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -164.865965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.865965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.865965 (E_RNA)
where:
Base-Base interactions energy: -108.277
where: short stacking energy: -44.228
Base-Backbone interact. energy: -0.986
local terms energy: -55.603792
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -14.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -73.260829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.260829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.260829 (E_RNA)
where:
Base-Base interactions energy: -28.351
where: short stacking energy: -24.307
Base-Backbone interact. energy: -0.097
local terms energy: -44.812769
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -7.613
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -67.933458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.933458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.933458 (E_RNA)
where:
Base-Base interactions energy: -27.215
where: short stacking energy: -15.295
Base-Backbone interact. energy: -0.128
local terms energy: -40.591124
where:
bonds (distance) C4'-P energy: -10.569
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -0.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -67.853764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.853764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.853764 (E_RNA)
where:
Base-Base interactions energy: -31.937
where: short stacking energy: -18.179
Base-Backbone interact. energy: 0.360
local terms energy: -36.276382
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -6.726
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: 9
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -58.902291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.902291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.902291 (E_RNA)
where:
Base-Base interactions energy: -18.447
where: short stacking energy: -13.285
Base-Backbone interact. energy: -0.179
local terms energy: -40.276787
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -7.812
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: 0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -74.757892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.757892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.757892 (E_RNA)
where:
Base-Base interactions energy: -39.805
where: short stacking energy: -19.992
Base-Backbone interact. energy: -0.101
local terms energy: -34.851762
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -4.730
flat angles P-C4'-P energy: -1.325
tors. eta vs tors. theta energy: -5.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -184.031027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.031027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.031027 (E_RNA)
where:
Base-Base interactions energy: -115.374
where: short stacking energy: -46.221
Base-Backbone interact. energy: -0.023
local terms energy: -68.634269
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -180.934886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.934886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.934886 (E_RNA)
where:
Base-Base interactions energy: -117.221
where: short stacking energy: -51.939
Base-Backbone interact. energy: -0.018
local terms energy: -63.695909
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -172.889249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.889249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.889249 (E_RNA)
where:
Base-Base interactions energy: -108.736
where: short stacking energy: -42.744
Base-Backbone interact. energy: -0.249
local terms energy: -63.903720
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -15.872
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: 8
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -164.783031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.783031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.783031 (E_RNA)
where:
Base-Base interactions energy: -110.074
where: short stacking energy: -44.888
Base-Backbone interact. energy: 0.813
local terms energy: -55.522523
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -8.694
flat angles P-C4'-P energy: -9.740
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: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -170.016141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.016141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.016141 (E_RNA)
where:
Base-Base interactions energy: -115.664
where: short stacking energy: -47.971
Base-Backbone interact. energy: 0.045
local terms energy: -54.397108
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -8.584
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -13.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -85.655427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.655427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.655427 (E_RNA)
where:
Base-Base interactions energy: -47.165
where: short stacking energy: -21.494
Base-Backbone interact. energy: -0.462
local terms energy: -38.028495
where:
bonds (distance) C4'-P energy: -5.927
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -8.604
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -3.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -72.217148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.217148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.217148 (E_RNA)
where:
Base-Base interactions energy: -29.335
where: short stacking energy: -21.684
Base-Backbone interact. energy: -0.037
local terms energy: -42.845305
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -71.060870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.060870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.060870 (E_RNA)
where:
Base-Base interactions energy: -30.992
where: short stacking energy: -15.521
Base-Backbone interact. energy: -0.002
local terms energy: -40.067519
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -9.903
flat angles C4'-P-C4' energy: -6.672
flat angles P-C4'-P energy: -8.560
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: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -64.858094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.858094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.858094 (E_RNA)
where:
Base-Base interactions energy: -23.839
where: short stacking energy: -9.466
Base-Backbone interact. energy: -0.573
local terms energy: -40.445462
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -3.056
tors. eta vs tors. theta energy: -3.060
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: 454
Temperature: 1.350000
Total energy: -59.361628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.361628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.361628 (E_RNA)
where:
Base-Base interactions energy: -30.393
where: short stacking energy: -12.867
Base-Backbone interact. energy: 0.684
local terms energy: -29.652580
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -0.679
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: 0.864
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: 455
Temperature: 0.900000
Total energy: -180.062458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.062458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.062458 (E_RNA)
where:
Base-Base interactions energy: -119.116
where: short stacking energy: -51.921
Base-Backbone interact. energy: 0.155
local terms energy: -61.101665
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -9.143
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -177.784199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.784199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.784199 (E_RNA)
where:
Base-Base interactions energy: -113.850
where: short stacking energy: -44.372
Base-Backbone interact. energy: -0.001
local terms energy: -63.933261
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -179.172801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.172801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.172801 (E_RNA)
where:
Base-Base interactions energy: -119.031
where: short stacking energy: -41.229
Base-Backbone interact. energy: -0.044
local terms energy: -60.097056
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -8.743
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: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -172.929892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.929892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.929892 (E_RNA)
where:
Base-Base interactions energy: -111.724
where: short stacking energy: -43.137
Base-Backbone interact. energy: -0.070
local terms energy: -61.135408
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -169.308161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.308161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.308161 (E_RNA)
where:
Base-Base interactions energy: -103.843
where: short stacking energy: -43.211
Base-Backbone interact. energy: -0.041
local terms energy: -65.423694
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -93.998653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.998653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.998653 (E_RNA)
where:
Base-Base interactions energy: -57.079
where: short stacking energy: -16.959
Base-Backbone interact. energy: -0.230
local terms energy: -36.689887
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -8.349
flat angles C4'-P-C4' energy: -8.218
flat angles P-C4'-P energy: -4.385
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -71.088503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.088503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.088503 (E_RNA)
where:
Base-Base interactions energy: -31.846
where: short stacking energy: -22.240
Base-Backbone interact. energy: -0.005
local terms energy: -39.237162
where:
bonds (distance) C4'-P energy: -9.989
bonds (distance) P-C4' energy: -7.087
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -4.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -72.721668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.721668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.721668 (E_RNA)
where:
Base-Base interactions energy: -32.637
where: short stacking energy: -12.725
Base-Backbone interact. energy: -0.338
local terms energy: -39.746927
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: 2.317
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: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -69.066766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.066766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.066766 (E_RNA)
where:
Base-Base interactions energy: -27.815
where: short stacking energy: -17.633
Base-Backbone interact. energy: -0.276
local terms energy: -40.976286
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: 1.899
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: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -58.350571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.350571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.350571 (E_RNA)
where:
Base-Base interactions energy: -16.930
where: short stacking energy: -16.930
Base-Backbone interact. energy: -0.364
local terms energy: -41.057462
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -5.451
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -181.708626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.708626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.708626 (E_RNA)
where:
Base-Base interactions energy: -118.203
where: short stacking energy: -47.273
Base-Backbone interact. energy: -0.007
local terms energy: -63.498909
where:
bonds (distance) C4'-P energy: -11.632
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -17.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -181.224333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.224333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.224333 (E_RNA)
where:
Base-Base interactions energy: -119.321
where: short stacking energy: -50.605
Base-Backbone interact. energy: -0.032
local terms energy: -61.871369
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -10.182
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -171.322649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.322649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.322649 (E_RNA)
where:
Base-Base interactions energy: -111.751
where: short stacking energy: -44.773
Base-Backbone interact. energy: -0.583
local terms energy: -58.989481
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -176.823775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.823775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.823775 (E_RNA)
where:
Base-Base interactions energy: -112.441
where: short stacking energy: -47.574
Base-Backbone interact. energy: -0.516
local terms energy: -63.866825
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -15.222
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: 456
Temperature: 1.100000
Total energy: -163.012839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.012839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.012839 (E_RNA)
where:
Base-Base interactions energy: -110.150
where: short stacking energy: -34.093
Base-Backbone interact. energy: -0.163
local terms energy: -52.699567
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -9.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -67.206505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.206505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.206505 (E_RNA)
where:
Base-Base interactions energy: -19.083
where: short stacking energy: -19.083
Base-Backbone interact. energy: 0.082
local terms energy: -48.204963
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -80.051268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.051268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.051268 (E_RNA)
where:
Base-Base interactions energy: -45.353
where: short stacking energy: -12.324
Base-Backbone interact. energy: -0.135
local terms energy: -34.562862
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -8.925
flat angles C4'-P-C4' energy: -7.616
flat angles P-C4'-P energy: -10.005
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: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -118.142647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.142647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.142647 (E_RNA)
where:
Base-Base interactions energy: -74.506
where: short stacking energy: -27.597
Base-Backbone interact. energy: -0.368
local terms energy: -43.268920
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -10.049
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -3.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -59.773264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.773264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.773264 (E_RNA)
where:
Base-Base interactions energy: -13.867
where: short stacking energy: -12.011
Base-Backbone interact. energy: -0.126
local terms energy: -45.779537
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -66.133999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.133999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.133999 (E_RNA)
where:
Base-Base interactions energy: -27.053
where: short stacking energy: -10.155
Base-Backbone interact. energy: -0.469
local terms energy: -38.612679
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -9.608
flat angles P-C4'-P energy: -7.348
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: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -186.349837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.349837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.349837 (E_RNA)
where:
Base-Base interactions energy: -120.946
where: short stacking energy: -50.205
Base-Backbone interact. energy: -0.001
local terms energy: -65.402891
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -19.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -180.143392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.143392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.143392 (E_RNA)
where:
Base-Base interactions energy: -114.355
where: short stacking energy: -47.033
Base-Backbone interact. energy: -0.061
local terms energy: -65.727474
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -9.753
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: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -175.903849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.903849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.903849 (E_RNA)
where:
Base-Base interactions energy: -119.590
where: short stacking energy: -50.136
Base-Backbone interact. energy: -0.406
local terms energy: -55.907258
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -168.475247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.475247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.475247 (E_RNA)
where:
Base-Base interactions energy: -114.876
where: short stacking energy: -45.287
Base-Backbone interact. energy: -0.005
local terms energy: -53.593631
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -13.836
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: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -167.077418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.077418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.077418 (E_RNA)
where:
Base-Base interactions energy: -105.966
where: short stacking energy: -42.705
Base-Backbone interact. energy: -0.119
local terms energy: -60.991828
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -6.477
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: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -83.783567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.783567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.783567 (E_RNA)
where:
Base-Base interactions energy: -34.332
where: short stacking energy: -15.678
Base-Backbone interact. energy: -0.324
local terms energy: -49.127958
where:
bonds (distance) C4'-P energy: -8.304
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -7.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -81.831703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.831703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.831703 (E_RNA)
where:
Base-Base interactions energy: -34.681
where: short stacking energy: -24.910
Base-Backbone interact. energy: -0.055
local terms energy: -47.096365
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -9.431
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: 8, replica: 10
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -88.488796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.488796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.488796 (E_RNA)
where:
Base-Base interactions energy: -47.616
where: short stacking energy: -15.876
Base-Backbone interact. energy: -0.037
local terms energy: -40.835355
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -7.107
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -3.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -73.983591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.983591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.983591 (E_RNA)
where:
Base-Base interactions energy: -45.360
where: short stacking energy: -23.434
Base-Backbone interact. energy: 2.618
local terms energy: -31.242530
where:
bonds (distance) C4'-P energy: -8.837
bonds (distance) P-C4' energy: -7.389
flat angles C4'-P-C4' energy: -6.314
flat angles P-C4'-P energy: -6.637
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: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -81.772586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.772586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.772586 (E_RNA)
where:
Base-Base interactions energy: -38.163
where: short stacking energy: -28.039
Base-Backbone interact. energy: -0.206
local terms energy: -43.403962
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -8.759
flat angles P-C4'-P energy: -2.429
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -186.955505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.955505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.955505 (E_RNA)
where:
Base-Base interactions energy: -119.523
where: short stacking energy: -50.598
Base-Backbone interact. energy: -0.028
local terms energy: -67.404300
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -8.380
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -16.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -179.815594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.815594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.815594 (E_RNA)
where:
Base-Base interactions energy: -117.955
where: short stacking energy: -50.395
Base-Backbone interact. energy: -0.037
local terms energy: -61.824419
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -174.353088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.353088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.353088 (E_RNA)
where:
Base-Base interactions energy: -116.965
where: short stacking energy: -48.781
Base-Backbone interact. energy: -0.004
local terms energy: -57.384325
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -6.351
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: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -170.857147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.857147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.857147 (E_RNA)
where:
Base-Base interactions energy: -110.820
where: short stacking energy: -40.947
Base-Backbone interact. energy: -0.075
local terms energy: -59.962182
where:
bonds (distance) C4'-P energy: -14.116
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -7.430
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: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -167.629743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.629743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.629743 (E_RNA)
where:
Base-Base interactions energy: -108.074
where: short stacking energy: -39.849
Base-Backbone interact. energy: -0.062
local terms energy: -59.493370
where:
bonds (distance) C4'-P energy: -8.561
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -12.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -69.046325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.046325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.046325 (E_RNA)
where:
Base-Base interactions energy: -33.243
where: short stacking energy: -18.155
Base-Backbone interact. energy: -0.092
local terms energy: -35.711465
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -8.653
flat angles P-C4'-P energy: -3.721
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: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -68.558479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.558479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.558479 (E_RNA)
where:
Base-Base interactions energy: -31.902
where: short stacking energy: -13.017
Base-Backbone interact. energy: 1.071
local terms energy: -37.728007
where:
bonds (distance) C4'-P energy: -9.226
bonds (distance) P-C4' energy: -9.696
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -4.210
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: 8, replica: 2
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -72.992756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.992756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.992756 (E_RNA)
where:
Base-Base interactions energy: -27.885
where: short stacking energy: -16.386
Base-Backbone interact. energy: -0.085
local terms energy: -45.022158
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -6.133
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: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -69.412617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.412617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.412617 (E_RNA)
where:
Base-Base interactions energy: -29.980
where: short stacking energy: -6.297
Base-Backbone interact. energy: -0.870
local terms energy: -38.563145
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -10.642
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -5.989
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: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -51.385350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -51.385350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -51.385350 (E_RNA)
where:
Base-Base interactions energy: -16.631
where: short stacking energy: -5.240
Base-Backbone interact. energy: -0.680
local terms energy: -34.074366
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -9.533
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: 4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -177.664800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.664800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.664800 (E_RNA)
where:
Base-Base interactions energy: -115.079
where: short stacking energy: -40.030
Base-Backbone interact. energy: -0.005
local terms energy: -62.580726
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -17.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -179.910073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.910073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.910073 (E_RNA)
where:
Base-Base interactions energy: -117.941
where: short stacking energy: -45.452
Base-Backbone interact. energy: 0.053
local terms energy: -62.021642
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -7.788
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: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -175.489643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.489643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.489643 (E_RNA)
where:
Base-Base interactions energy: -110.867
where: short stacking energy: -41.719
Base-Backbone interact. energy: -0.089
local terms energy: -64.532997
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -14.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -166.734185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.734185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.734185 (E_RNA)
where:
Base-Base interactions energy: -107.139
where: short stacking energy: -43.428
Base-Backbone interact. energy: -0.009
local terms energy: -59.585948
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -14.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -161.861469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.861469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.861469 (E_RNA)
where:
Base-Base interactions energy: -110.067
where: short stacking energy: -40.459
Base-Backbone interact. energy: -0.005
local terms energy: -51.789868
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -7.007
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -71.640886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.640886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.640886 (E_RNA)
where:
Base-Base interactions energy: -26.244
where: short stacking energy: -10.565
Base-Backbone interact. energy: -0.133
local terms energy: -45.263780
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -7.293
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -72.652430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.652430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.652430 (E_RNA)
where:
Base-Base interactions energy: -30.152
where: short stacking energy: -16.502
Base-Backbone interact. energy: -0.081
local terms energy: -42.419145
where:
bonds (distance) C4'-P energy: -10.531
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -10.090
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -69.663073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.663073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.663073 (E_RNA)
where:
Base-Base interactions energy: -22.546
where: short stacking energy: -21.952
Base-Backbone interact. energy: -0.117
local terms energy: -47.000051
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -64.502843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.502843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.502843 (E_RNA)
where:
Base-Base interactions energy: -24.625
where: short stacking energy: -16.581
Base-Backbone interact. energy: -1.284
local terms energy: -38.593970
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -4.380
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -63.316267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.316267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.316267 (E_RNA)
where:
Base-Base interactions energy: -32.027
where: short stacking energy: -11.546
Base-Backbone interact. energy: -0.350
local terms energy: -30.939219
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -7.076
flat angles C4'-P-C4' energy: -8.868
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: 1.166
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: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -183.149759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.149759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.149759 (E_RNA)
where:
Base-Base interactions energy: -114.658
where: short stacking energy: -49.751
Base-Backbone interact. energy: -0.001
local terms energy: -68.490384
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -18.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -183.672814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.672814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.672814 (E_RNA)
where:
Base-Base interactions energy: -119.959
where: short stacking energy: -43.410
Base-Backbone interact. energy: -0.029
local terms energy: -63.685636
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -171.111238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.111238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.111238 (E_RNA)
where:
Base-Base interactions energy: -116.204
where: short stacking energy: -45.076
Base-Backbone interact. energy: -0.274
local terms energy: -54.632779
where:
bonds (distance) C4'-P energy: -7.417
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -11.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -173.188518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.188518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.188518 (E_RNA)
where:
Base-Base interactions energy: -110.567
where: short stacking energy: -47.438
Base-Backbone interact. energy: -0.227
local terms energy: -62.394857
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -124.653890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.653890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.653890 (E_RNA)
where:
Base-Base interactions energy: -72.414
where: short stacking energy: -26.118
Base-Backbone interact. energy: -0.933
local terms energy: -51.307007
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -10.257
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -67.600967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.600967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.600967 (E_RNA)
where:
Base-Base interactions energy: -26.979
where: short stacking energy: -18.167
Base-Backbone interact. energy: -0.279
local terms energy: -40.343117
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -3.414
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: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -64.906591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.906591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.906591 (E_RNA)
where:
Base-Base interactions energy: -19.993
where: short stacking energy: -14.987
Base-Backbone interact. energy: -0.362
local terms energy: -44.551072
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -61.065565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.065565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.065565 (E_RNA)
where:
Base-Base interactions energy: -33.060
where: short stacking energy: -18.821
Base-Backbone interact. energy: -0.030
local terms energy: -27.975727
where:
bonds (distance) C4'-P energy: -8.321
bonds (distance) P-C4' energy: -8.992
flat angles C4'-P-C4' energy: -6.451
flat angles P-C4'-P energy: -3.373
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: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -58.680405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.680405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.680405 (E_RNA)
where:
Base-Base interactions energy: -20.922
where: short stacking energy: -8.936
Base-Backbone interact. energy: -0.130
local terms energy: -37.628577
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -9.503
flat angles P-C4'-P energy: -4.265
tors. eta vs tors. theta energy: 1.195
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: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -61.623634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.623634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.623634 (E_RNA)
where:
Base-Base interactions energy: -24.322
where: short stacking energy: -16.618
Base-Backbone interact. energy: -0.361
local terms energy: -36.941155
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -10.086
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: 1.907
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: 1, replica: 6
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -182.432209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.432209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.432209 (E_RNA)
where:
Base-Base interactions energy: -120.827
where: short stacking energy: -50.888
Base-Backbone interact. energy: -0.010
local terms energy: -61.595126
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -7.239
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: 2, replica: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -180.998309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.998309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.998309 (E_RNA)
where:
Base-Base interactions energy: -120.315
where: short stacking energy: -39.038
Base-Backbone interact. energy: -0.108
local terms energy: -60.574812
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -8.336
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -177.561384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.561384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.561384 (E_RNA)
where:
Base-Base interactions energy: -117.308
where: short stacking energy: -43.458
Base-Backbone interact. energy: -2.586
local terms energy: -57.667598
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -9.759
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -176.231233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.231233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.231233 (E_RNA)
where:
Base-Base interactions energy: -112.345
where: short stacking energy: -45.325
Base-Backbone interact. energy: -0.122
local terms energy: -63.763766
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -117.671765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.671765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.671765 (E_RNA)
where:
Base-Base interactions energy: -59.371
where: short stacking energy: -32.980
Base-Backbone interact. energy: -0.846
local terms energy: -57.455270
where:
bonds (distance) C4'-P energy: -9.662
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -13.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -78.036246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.036246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.036246 (E_RNA)
where:
Base-Base interactions energy: -23.946
where: short stacking energy: -23.850
Base-Backbone interact. energy: 0.884
local terms energy: -54.974389
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -10.097
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -10.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -75.177502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.177502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.177502 (E_RNA)
where:
Base-Base interactions energy: -25.827
where: short stacking energy: -19.106
Base-Backbone interact. energy: -0.261
local terms energy: -49.090138
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -7.045
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: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -70.668326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.668326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.668326 (E_RNA)
where:
Base-Base interactions energy: -19.742
where: short stacking energy: -19.484
Base-Backbone interact. energy: -0.027
local terms energy: -50.898820
where:
bonds (distance) C4'-P energy: -9.529
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -3.698
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: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -57.774531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.774531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.774531 (E_RNA)
where:
Base-Base interactions energy: -13.441
where: short stacking energy: -12.718
Base-Backbone interact. energy: -0.176
local terms energy: -44.158055
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -8.955
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: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -55.805055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.805055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.805055 (E_RNA)
where:
Base-Base interactions energy: -17.102
where: short stacking energy: -10.152
Base-Backbone interact. energy: -0.142
local terms energy: -38.560731
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -8.588
flat angles P-C4'-P energy: -7.741
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: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -183.598010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.598010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.598010 (E_RNA)
where:
Base-Base interactions energy: -116.466
where: short stacking energy: -51.845
Base-Backbone interact. energy: -0.137
local terms energy: -66.994690
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -9.664
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: 2, replica: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -177.363591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.363591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.363591 (E_RNA)
where:
Base-Base interactions energy: -116.306
where: short stacking energy: -46.765
Base-Backbone interact. energy: -0.021
local terms energy: -61.036756
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -9.462
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: 3, replica: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -173.620959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.620959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.620959 (E_RNA)
where:
Base-Base interactions energy: -114.034
where: short stacking energy: -45.884
Base-Backbone interact. energy: -0.091
local terms energy: -59.496359
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -171.751860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.751860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.751860 (E_RNA)
where:
Base-Base interactions energy: -106.703
where: short stacking energy: -39.172
Base-Backbone interact. energy: -0.194
local terms energy: -64.854356
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -116.180642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.180642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.180642 (E_RNA)
where:
Base-Base interactions energy: -63.122
where: short stacking energy: -32.138
Base-Backbone interact. energy: 0.057
local terms energy: -53.115277
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -7.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -73.995234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.995234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.995234 (E_RNA)
where:
Base-Base interactions energy: -21.299
where: short stacking energy: -17.490
Base-Backbone interact. energy: -0.075
local terms energy: -52.620492
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -3.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -64.313788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.313788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.313788 (E_RNA)
where:
Base-Base interactions energy: -36.414
where: short stacking energy: -19.078
Base-Backbone interact. energy: -0.240
local terms energy: -27.659179
where:
bonds (distance) C4'-P energy: -5.605
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -2.541
tors. eta vs tors. theta energy: 4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -69.686349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.686349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.686349 (E_RNA)
where:
Base-Base interactions energy: -18.054
where: short stacking energy: -17.542
Base-Backbone interact. energy: 0.033
local terms energy: -51.665212
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -8.314
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: 9, replica: 2
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -59.999046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.999046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.999046 (E_RNA)
where:
Base-Base interactions energy: -20.302
where: short stacking energy: -18.422
Base-Backbone interact. energy: -0.014
local terms energy: -39.683611
where:
bonds (distance) C4'-P energy: -5.277
bonds (distance) P-C4' energy: -8.736
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -5.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -63.662752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.662752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.662752 (E_RNA)
where:
Base-Base interactions energy: -25.034
where: short stacking energy: -18.371
Base-Backbone interact. energy: -0.046
local terms energy: -38.583189
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -6.450
flat angles C4'-P-C4' energy: -6.508
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -178.675737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.675737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.675737 (E_RNA)
where:
Base-Base interactions energy: -113.315
where: short stacking energy: -40.688
Base-Backbone interact. energy: -0.122
local terms energy: -65.238485
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -16.255
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: 8
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -181.392341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.392341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.392341 (E_RNA)
where:
Base-Base interactions energy: -119.736
where: short stacking energy: -48.156
Base-Backbone interact. energy: -0.151
local terms energy: -61.505258
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -178.290666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.290666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.290666 (E_RNA)
where:
Base-Base interactions energy: -114.670
where: short stacking energy: -49.835
Base-Backbone interact. energy: -0.000
local terms energy: -63.620466
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -18.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -175.064336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.064336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.064336 (E_RNA)
where:
Base-Base interactions energy: -119.958
where: short stacking energy: -45.222
Base-Backbone interact. energy: -0.141
local terms energy: -54.964655
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -11.245
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -12.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -127.714010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.714010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.714010 (E_RNA)
where:
Base-Base interactions energy: -81.985
where: short stacking energy: -19.282
Base-Backbone interact. energy: 0.503
local terms energy: -46.232321
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -82.246143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.246143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.246143 (E_RNA)
where:
Base-Base interactions energy: -38.396
where: short stacking energy: -14.256
Base-Backbone interact. energy: 0.414
local terms energy: -44.264615
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -67.785616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.785616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.785616 (E_RNA)
where:
Base-Base interactions energy: -27.085
where: short stacking energy: -16.509
Base-Backbone interact. energy: -0.525
local terms energy: -40.175215
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -4.376
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -63.766910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.766910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.766910 (E_RNA)
where:
Base-Base interactions energy: -24.474
where: short stacking energy: -10.026
Base-Backbone interact. energy: -0.799
local terms energy: -38.494462
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -8.182
flat angles C4'-P-C4' energy: -8.878
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -64.278523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.278523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.278523 (E_RNA)
where:
Base-Base interactions energy: -32.041
where: short stacking energy: -11.500
Base-Backbone interact. energy: -0.041
local terms energy: -32.196880
where:
bonds (distance) C4'-P energy: -8.540
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: 1.254
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: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -57.695238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.695238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.695238 (E_RNA)
where:
Base-Base interactions energy: -16.846
where: short stacking energy: -12.583
Base-Backbone interact. energy: -0.198
local terms energy: -40.651834
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -8.745
flat angles P-C4'-P energy: -6.076
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: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -176.237875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.237875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.237875 (E_RNA)
where:
Base-Base interactions energy: -119.428
where: short stacking energy: -41.005
Base-Backbone interact. energy: -0.103
local terms energy: -56.707040
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -8.224
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -16.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -174.746486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.746486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.746486 (E_RNA)
where:
Base-Base interactions energy: -111.643
where: short stacking energy: -44.175
Base-Backbone interact. energy: -0.001
local terms energy: -63.102503
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -8.266
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: 6
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -177.372470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.372470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.372470 (E_RNA)
where:
Base-Base interactions energy: -122.999
where: short stacking energy: -42.817
Base-Backbone interact. energy: -0.171
local terms energy: -54.201931
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -11.508
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: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -152.077614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.077614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.077614 (E_RNA)
where:
Base-Base interactions energy: -110.777
where: short stacking energy: -31.074
Base-Backbone interact. energy: -0.257
local terms energy: -41.043294
where:
bonds (distance) C4'-P energy: -7.128
bonds (distance) P-C4' energy: -9.660
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -2.732
tors. eta vs tors. theta energy: -9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -100.843622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.843622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.843622 (E_RNA)
where:
Base-Base interactions energy: -47.384
where: short stacking energy: -30.759
Base-Backbone interact. energy: -0.081
local terms energy: -53.378564
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -8.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -120.111239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.111239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.111239 (E_RNA)
where:
Base-Base interactions energy: -71.338
where: short stacking energy: -29.551
Base-Backbone interact. energy: -0.262
local terms energy: -48.510742
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -9.208
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -65.866310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.866310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.866310 (E_RNA)
where:
Base-Base interactions energy: -20.939
where: short stacking energy: -20.939
Base-Backbone interact. energy: 0.701
local terms energy: -45.628283
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -76.531288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.531288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.531288 (E_RNA)
where:
Base-Base interactions energy: -28.558
where: short stacking energy: -17.909
Base-Backbone interact. energy: -0.733
local terms energy: -47.241030
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -9.135
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: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -70.850361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.850361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.850361 (E_RNA)
where:
Base-Base interactions energy: -26.077
where: short stacking energy: -14.749
Base-Backbone interact. energy: -0.212
local terms energy: -44.561452
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -8.688
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -63.538275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.538275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.538275 (E_RNA)
where:
Base-Base interactions energy: -19.583
where: short stacking energy: -10.773
Base-Backbone interact. energy: -0.090
local terms energy: -43.865537
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -7.743
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: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -178.248115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.248115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.248115 (E_RNA)
where:
Base-Base interactions energy: -114.123
where: short stacking energy: -48.121
Base-Backbone interact. energy: -0.010
local terms energy: -64.115148
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -15.496
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: 2, replica: 6
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -179.363516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.363516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.363516 (E_RNA)
where:
Base-Base interactions energy: -117.048
where: short stacking energy: -41.075
Base-Backbone interact. energy: -0.107
local terms energy: -62.208115
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -12.427
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: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -179.147745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.147745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.147745 (E_RNA)
where:
Base-Base interactions energy: -116.231
where: short stacking energy: -46.874
Base-Backbone interact. energy: -0.091
local terms energy: -62.826428
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -17.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -165.479833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.479833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.479833 (E_RNA)
where:
Base-Base interactions energy: -108.705
where: short stacking energy: -43.640
Base-Backbone interact. energy: -0.391
local terms energy: -56.383662
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -5.686
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: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -76.740543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.740543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.740543 (E_RNA)
where:
Base-Base interactions energy: -26.590
where: short stacking energy: -23.349
Base-Backbone interact. energy: -0.119
local terms energy: -50.031184
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -76.478075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.478075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.478075 (E_RNA)
where:
Base-Base interactions energy: -41.447
where: short stacking energy: -27.940
Base-Backbone interact. energy: -0.003
local terms energy: -35.027891
where:
bonds (distance) C4'-P energy: -3.051
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: -4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -80.647576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.647576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.647576 (E_RNA)
where:
Base-Base interactions energy: -32.999
where: short stacking energy: -17.643
Base-Backbone interact. energy: -0.088
local terms energy: -47.560632
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -64.310216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.310216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.310216 (E_RNA)
where:
Base-Base interactions energy: -19.177
where: short stacking energy: -18.667
Base-Backbone interact. energy: -0.072
local terms energy: -45.061282
where:
bonds (distance) C4'-P energy: -9.223
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -7.032
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: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -62.706723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.706723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.706723 (E_RNA)
where:
Base-Base interactions energy: -16.621
where: short stacking energy: -15.463
Base-Backbone interact. energy: 0.808
local terms energy: -46.893965
where:
bonds (distance) C4'-P energy: -10.283
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -8.085
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: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -60.187612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.187612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.187612 (E_RNA)
where:
Base-Base interactions energy: -17.601
where: short stacking energy: -11.610
Base-Backbone interact. energy: -0.293
local terms energy: -42.292985
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -7.575
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: 1, replica: 6
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -181.323516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.323516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.323516 (E_RNA)
where:
Base-Base interactions energy: -121.255
where: short stacking energy: -51.159
Base-Backbone interact. energy: -0.014
local terms energy: -60.054353
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -10.086
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: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -176.024381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.024381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.024381 (E_RNA)
where:
Base-Base interactions energy: -110.104
where: short stacking energy: -40.423
Base-Backbone interact. energy: -0.140
local terms energy: -65.779882
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -9.095
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: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -171.671306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.671306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.671306 (E_RNA)
where:
Base-Base interactions energy: -115.294
where: short stacking energy: -38.041
Base-Backbone interact. energy: -0.634
local terms energy: -55.743797
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -14.580
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: 4, replica: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -171.127195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.127195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.127195 (E_RNA)
where:
Base-Base interactions energy: -112.808
where: short stacking energy: -47.291
Base-Backbone interact. energy: -0.022
local terms energy: -58.297149
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -75.825325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.825325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.825325 (E_RNA)
where:
Base-Base interactions energy: -29.817
where: short stacking energy: -29.817
Base-Backbone interact. energy: -0.009
local terms energy: -46.000094
where:
bonds (distance) C4'-P energy: -7.877
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -6.516
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: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -64.085044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.085044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.085044 (E_RNA)
where:
Base-Base interactions energy: -18.481
where: short stacking energy: -8.361
Base-Backbone interact. energy: -0.147
local terms energy: -45.456350
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: 0.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -59.985374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.985374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.985374 (E_RNA)
where:
Base-Base interactions energy: -15.814
where: short stacking energy: -15.814
Base-Backbone interact. energy: -0.152
local terms energy: -44.019351
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -9.398
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -7.990
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: 466
Temperature: 1.250000
Total energy: -62.203125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.203125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.203125 (E_RNA)
where:
Base-Base interactions energy: -21.741
where: short stacking energy: -14.817
Base-Backbone interact. energy: -0.144
local terms energy: -40.318110
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -5.503
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -3.669
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: 466
Temperature: 1.300000
Total energy: -60.331453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.331453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.331453 (E_RNA)
where:
Base-Base interactions energy: -16.525
where: short stacking energy: -16.525
Base-Backbone interact. energy: -0.051
local terms energy: -43.756286
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -10.370
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -1.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -55.542035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.542035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.542035 (E_RNA)
where:
Base-Base interactions energy: -21.216
where: short stacking energy: -8.175
Base-Backbone interact. energy: -0.142
local terms energy: -34.183109
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -7.827
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: 2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -175.241663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.241663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.241663 (E_RNA)
where:
Base-Base interactions energy: -116.127
where: short stacking energy: -40.947
Base-Backbone interact. energy: -0.232
local terms energy: -58.882845
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -11.120
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: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -172.538810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.538810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.538810 (E_RNA)
where:
Base-Base interactions energy: -112.378
where: short stacking energy: -42.455
Base-Backbone interact. energy: -0.009
local terms energy: -60.151862
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -178.304089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.304089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.304089 (E_RNA)
where:
Base-Base interactions energy: -120.575
where: short stacking energy: -43.861
Base-Backbone interact. energy: -0.002
local terms energy: -57.727444
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -167.889154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.889154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.889154 (E_RNA)
where:
Base-Base interactions energy: -114.782
where: short stacking energy: -46.593
Base-Backbone interact. energy: -0.124
local terms energy: -52.983340
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -10.379
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -4.932
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -78.778586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.778586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.778586 (E_RNA)
where:
Base-Base interactions energy: -45.196
where: short stacking energy: -25.770
Base-Backbone interact. energy: -0.067
local terms energy: -33.515526
where:
bonds (distance) C4'-P energy: -5.178
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -1.252
tors. eta vs tors. theta energy: -5.900
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: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -71.569279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.569279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.569279 (E_RNA)
where:
Base-Base interactions energy: -27.953
where: short stacking energy: -19.578
Base-Backbone interact. energy: -0.253
local terms energy: -43.363838
where:
bonds (distance) C4'-P energy: -9.144
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -61.704173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.704173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.704173 (E_RNA)
where:
Base-Base interactions energy: -12.664
where: short stacking energy: -10.677
Base-Backbone interact. energy: -0.005
local terms energy: -49.035608
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -7.240
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -67.872188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.872188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.872188 (E_RNA)
where:
Base-Base interactions energy: -38.620
where: short stacking energy: -15.644
Base-Backbone interact. energy: -1.184
local terms energy: -28.068702
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -9.018
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: 7.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -62.753853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.753853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.753853 (E_RNA)
where:
Base-Base interactions energy: -23.694
where: short stacking energy: -18.614
Base-Backbone interact. energy: -0.196
local terms energy: -38.864696
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: 1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -57.529892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.529892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.529892 (E_RNA)
where:
Base-Base interactions energy: -10.130
where: short stacking energy: -9.108
Base-Backbone interact. energy: 0.421
local terms energy: -47.820578
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -8.823
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: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -180.332207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.332207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.332207 (E_RNA)
where:
Base-Base interactions energy: -119.263
where: short stacking energy: -40.736
Base-Backbone interact. energy: -0.176
local terms energy: -60.892835
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -11.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -180.579872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.579872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.579872 (E_RNA)
where:
Base-Base interactions energy: -117.240
where: short stacking energy: -47.499
Base-Backbone interact. energy: -0.095
local terms energy: -63.244706
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -15.387
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: 5
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -175.969238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.969238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.969238 (E_RNA)
where:
Base-Base interactions energy: -116.921
where: short stacking energy: -49.294
Base-Backbone interact. energy: -0.179
local terms energy: -58.869831
where:
bonds (distance) C4'-P energy: -8.970
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -173.250769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.250769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.250769 (E_RNA)
where:
Base-Base interactions energy: -108.936
where: short stacking energy: -37.228
Base-Backbone interact. energy: -0.862
local terms energy: -63.452076
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -14.158
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: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -75.572577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.572577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.572577 (E_RNA)
where:
Base-Base interactions energy: -37.607
where: short stacking energy: -19.331
Base-Backbone interact. energy: -0.057
local terms energy: -37.908129
where:
bonds (distance) C4'-P energy: -9.331
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -10.273
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -64.369790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.369790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.369790 (E_RNA)
where:
Base-Base interactions energy: -22.204
where: short stacking energy: -18.933
Base-Backbone interact. energy: -0.133
local terms energy: -42.032698
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -13.255
flat angles C4'-P-C4' energy: -2.811
flat angles P-C4'-P energy: -9.609
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: 7, replica: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -68.345770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.345770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.345770 (E_RNA)
where:
Base-Base interactions energy: -22.135
where: short stacking energy: -8.428
Base-Backbone interact. energy: 1.070
local terms energy: -47.281117
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -9.157
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: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -70.441968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.441968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.441968 (E_RNA)
where:
Base-Base interactions energy: -33.414
where: short stacking energy: -8.064
Base-Backbone interact. energy: -0.085
local terms energy: -36.943078
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -11.858
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: 2.086
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: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -55.297097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.297097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.297097 (E_RNA)
where:
Base-Base interactions energy: -14.342
where: short stacking energy: -7.802
Base-Backbone interact. energy: -0.311
local terms energy: -40.644886
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: 0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -58.701697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.701697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.701697 (E_RNA)
where:
Base-Base interactions energy: -21.757
where: short stacking energy: -12.401
Base-Backbone interact. energy: -0.071
local terms energy: -36.873485
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -8.096
flat angles C4'-P-C4' energy: -7.160
flat angles P-C4'-P energy: -7.119
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: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -183.172806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.172806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.172806 (E_RNA)
where:
Base-Base interactions energy: -121.125
where: short stacking energy: -51.032
Base-Backbone interact. energy: -0.013
local terms energy: -62.034519
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -10.548
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -181.771285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.771285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.771285 (E_RNA)
where:
Base-Base interactions energy: -119.956
where: short stacking energy: -51.870
Base-Backbone interact. energy: -0.001
local terms energy: -61.813641
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -173.708105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.708105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.708105 (E_RNA)
where:
Base-Base interactions energy: -116.897
where: short stacking energy: -42.821
Base-Backbone interact. energy: -0.099
local terms energy: -56.712721
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -10.871
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: 4, replica: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -171.316713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.316713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.316713 (E_RNA)
where:
Base-Base interactions energy: -115.549
where: short stacking energy: -37.137
Base-Backbone interact. energy: -1.231
local terms energy: -54.537298
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -8.551
flat angles P-C4'-P energy: -9.942
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: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -94.126391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.126391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.126391 (E_RNA)
where:
Base-Base interactions energy: -47.439
where: short stacking energy: -18.921
Base-Backbone interact. energy: -0.206
local terms energy: -46.481678
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -4.196
tors. eta vs tors. theta energy: -6.373
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: 469
Temperature: 1.150000
Total energy: -118.837784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.837784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.837784 (E_RNA)
where:
Base-Base interactions energy: -73.964
where: short stacking energy: -24.534
Base-Backbone interact. energy: -0.178
local terms energy: -44.695910
where:
bonds (distance) C4'-P energy: -8.673
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -8.194
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -7.246
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: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -83.631298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.631298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.631298 (E_RNA)
where:
Base-Base interactions energy: -31.099
where: short stacking energy: -21.541
Base-Backbone interact. energy: -0.150
local terms energy: -52.382360
where:
bonds (distance) C4'-P energy: -7.927
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -10.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -68.191815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.191815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.191815 (E_RNA)
where:
Base-Base interactions energy: -32.535
where: short stacking energy: -7.912
Base-Backbone interact. energy: -0.546
local terms energy: -35.110312
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -9.645
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -7.811
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: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -69.563872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.563872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.563872 (E_RNA)
where:
Base-Base interactions energy: -29.071
where: short stacking energy: -17.261
Base-Backbone interact. energy: -0.362
local terms energy: -40.131161
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -8.444
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -66.630710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.630710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.630710 (E_RNA)
where:
Base-Base interactions energy: -20.890
where: short stacking energy: -19.984
Base-Backbone interact. energy: -0.103
local terms energy: -45.638333
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -9.230
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -181.545716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.545716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.545716 (E_RNA)
where:
Base-Base interactions energy: -118.167
where: short stacking energy: -50.525
Base-Backbone interact. energy: -0.002
local terms energy: -63.376802
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.022
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: 2, replica: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -183.953030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.953030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.953030 (E_RNA)
where:
Base-Base interactions energy: -123.498
where: short stacking energy: -49.554
Base-Backbone interact. energy: -0.075
local terms energy: -60.380016
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -6.881
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: 3, replica: 6
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -174.968649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.968649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.968649 (E_RNA)
where:
Base-Base interactions energy: -116.784
where: short stacking energy: -48.976
Base-Backbone interact. energy: -0.003
local terms energy: -58.182030
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -172.907953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.907953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.907953 (E_RNA)
where:
Base-Base interactions energy: -108.604
where: short stacking energy: -44.142
Base-Backbone interact. energy: -0.029
local terms energy: -64.274886
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -15.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -84.568252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.568252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.568252 (E_RNA)
where:
Base-Base interactions energy: -45.024
where: short stacking energy: -20.442
Base-Backbone interact. energy: -0.115
local terms energy: -39.429192
where:
bonds (distance) C4'-P energy: -7.992
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -5.658
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -6.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -83.609532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.609532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.609532 (E_RNA)
where:
Base-Base interactions energy: -40.088
where: short stacking energy: -19.229
Base-Backbone interact. energy: -0.026
local terms energy: -43.495850
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -8.897
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -3.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -64.200805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.200805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.200805 (E_RNA)
where:
Base-Base interactions energy: -18.097
where: short stacking energy: -4.534
Base-Backbone interact. energy: -0.985
local terms energy: -45.118759
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: 1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -75.473510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.473510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.473510 (E_RNA)
where:
Base-Base interactions energy: -39.341
where: short stacking energy: -10.532
Base-Backbone interact. energy: -1.215
local terms energy: -34.917517
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -9.635
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -1.811
tors. eta vs tors. theta energy: -0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -62.942268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.942268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.942268 (E_RNA)
where:
Base-Base interactions energy: -28.725
where: short stacking energy: -10.880
Base-Backbone interact. energy: -0.107
local terms energy: -34.110609
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -8.383
flat angles C4'-P-C4' energy: -7.249
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: 0.190
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: 470
Temperature: 1.350000
Total energy: -58.353406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.353406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.353406 (E_RNA)
where:
Base-Base interactions energy: -21.226
where: short stacking energy: -12.755
Base-Backbone interact. energy: -0.539
local terms energy: -36.589120
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -7.596
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: 0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -180.107023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.107023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.107023 (E_RNA)
where:
Base-Base interactions energy: -118.400
where: short stacking energy: -50.478
Base-Backbone interact. energy: -0.028
local terms energy: -61.679868
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -184.474859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.474859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.474859 (E_RNA)
where:
Base-Base interactions energy: -122.220
where: short stacking energy: -51.144
Base-Backbone interact. energy: -0.063
local terms energy: -62.191372
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -9.429
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: 3, replica: 7
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -170.362519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.362519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.362519 (E_RNA)
where:
Base-Base interactions energy: -112.336
where: short stacking energy: -43.473
Base-Backbone interact. energy: -0.001
local terms energy: -58.025591
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -9.969
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -10.037
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: 8
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -168.196763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.196763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.196763 (E_RNA)
where:
Base-Base interactions energy: -114.983
where: short stacking energy: -40.220
Base-Backbone interact. energy: -0.048
local terms energy: -53.165499
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -11.351
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: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -85.135252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.135252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.135252 (E_RNA)
where:
Base-Base interactions energy: -33.764
where: short stacking energy: -32.271
Base-Backbone interact. energy: -0.047
local terms energy: -51.324274
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -10.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -77.389811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.389811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.389811 (E_RNA)
where:
Base-Base interactions energy: -34.589
where: short stacking energy: -27.824
Base-Backbone interact. energy: -0.030
local terms energy: -42.771303
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -9.235
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -66.039440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.039440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.039440 (E_RNA)
where:
Base-Base interactions energy: -16.531
where: short stacking energy: -16.531
Base-Backbone interact. energy: -0.264
local terms energy: -49.245092
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -63.874130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.874130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.874130 (E_RNA)
where:
Base-Base interactions energy: -20.165
where: short stacking energy: -15.287
Base-Backbone interact. energy: -0.221
local terms energy: -43.488128
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -4.812
tors. eta vs tors. theta energy: -2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -63.187561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.187561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.187561 (E_RNA)
where:
Base-Base interactions energy: -21.450
where: short stacking energy: -14.143
Base-Backbone interact. energy: -0.175
local terms energy: -41.562369
where:
bonds (distance) C4'-P energy: -6.255
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -5.922
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: 10, replica: 4
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -81.224670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.224670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.224670 (E_RNA)
where:
Base-Base interactions energy: -46.395
where: short stacking energy: -13.880
Base-Backbone interact. energy: 1.324
local terms energy: -36.153828
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -5.310
flat angles P-C4'-P energy: -5.800
tors. eta vs tors. theta energy: -3.030
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: 6
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -178.886319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.886319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.886319 (E_RNA)
where:
Base-Base interactions energy: -115.761
where: short stacking energy: -44.446
Base-Backbone interact. energy: -0.014
local terms energy: -63.111096
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -174.310612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.310612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.310612 (E_RNA)
where:
Base-Base interactions energy: -113.584
where: short stacking energy: -44.659
Base-Backbone interact. energy: -0.013
local terms energy: -60.713507
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -6.612
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: 3, replica: 8
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -174.038438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.038438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.038438 (E_RNA)
where:
Base-Base interactions energy: -114.404
where: short stacking energy: -47.184
Base-Backbone interact. energy: -0.084
local terms energy: -59.550641
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -7.807
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: 7
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -171.767655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.767655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.767655 (E_RNA)
where:
Base-Base interactions energy: -122.561
where: short stacking energy: -40.204
Base-Backbone interact. energy: -0.234
local terms energy: -48.972124
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -1.968
tors. eta vs tors. theta energy: -12.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -92.958224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.958224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.958224 (E_RNA)
where:
Base-Base interactions energy: -39.223
where: short stacking energy: -24.870
Base-Backbone interact. energy: -0.394
local terms energy: -53.340422
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -9.672
flat angles P-C4'-P energy: -4.542
tors. eta vs tors. theta energy: -9.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -92.452556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.452556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.452556 (E_RNA)
where:
Base-Base interactions energy: -49.954
where: short stacking energy: -24.453
Base-Backbone interact. energy: -0.268
local terms energy: -42.230979
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -9.415
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -0.856
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: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -69.789147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.789147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.789147 (E_RNA)
where:
Base-Base interactions energy: -34.810
where: short stacking energy: -29.118
Base-Backbone interact. energy: -0.031
local terms energy: -34.948146
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -6.283
flat angles C4'-P-C4' energy: -8.982
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -4.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -68.029027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.029027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.029027 (E_RNA)
where:
Base-Base interactions energy: -28.849
where: short stacking energy: -22.276
Base-Backbone interact. energy: -0.941
local terms energy: -38.238924
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -7.759
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -63.692388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.692388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.692388 (E_RNA)
where:
Base-Base interactions energy: -14.518
where: short stacking energy: -14.518
Base-Backbone interact. energy: -0.156
local terms energy: -49.018279
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -9.848
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: 10, replica: 2
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -56.385745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.385745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.385745 (E_RNA)
where:
Base-Base interactions energy: -16.761
where: short stacking energy: -13.377
Base-Backbone interact. energy: -0.895
local terms energy: -38.729652
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -4.746
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -183.245043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.245043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.245043 (E_RNA)
where:
Base-Base interactions energy: -117.685
where: short stacking energy: -49.479
Base-Backbone interact. energy: -0.012
local terms energy: -65.548256
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -177.694550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.694550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.694550 (E_RNA)
where:
Base-Base interactions energy: -118.047
where: short stacking energy: -40.730
Base-Backbone interact. energy: -0.064
local terms energy: -59.583862
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -12.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -173.473862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.473862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.473862 (E_RNA)
where:
Base-Base interactions energy: -113.358
where: short stacking energy: -44.270
Base-Backbone interact. energy: -0.731
local terms energy: -59.385069
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -175.065676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.065676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.065676 (E_RNA)
where:
Base-Base interactions energy: -110.789
where: short stacking energy: -45.506
Base-Backbone interact. energy: -0.866
local terms energy: -63.411095
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -9.255
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: 5, replica: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -98.302766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.302766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.302766 (E_RNA)
where:
Base-Base interactions energy: -49.529
where: short stacking energy: -24.434
Base-Backbone interact. energy: -0.114
local terms energy: -48.660303
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -7.315
flat angles C4'-P-C4' energy: -10.009
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -9.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -72.588456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.588456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.588456 (E_RNA)
where:
Base-Base interactions energy: -23.601
where: short stacking energy: -23.165
Base-Backbone interact. energy: -0.056
local terms energy: -48.931155
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -3.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -63.127728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.127728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.127728 (E_RNA)
where:
Base-Base interactions energy: -16.199
where: short stacking energy: -16.013
Base-Backbone interact. energy: -0.025
local terms energy: -46.903441
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -62.895685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.895685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.895685 (E_RNA)
where:
Base-Base interactions energy: -32.466
where: short stacking energy: -22.186
Base-Backbone interact. energy: -0.227
local terms energy: -30.202546
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -7.975
flat angles C4'-P-C4' energy: -7.012
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: 1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -57.565789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.565789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.565789 (E_RNA)
where:
Base-Base interactions energy: -19.140
where: short stacking energy: -16.316
Base-Backbone interact. energy: -0.128
local terms energy: -38.297301
where:
bonds (distance) C4'-P energy: -6.808
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -4.863
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -61.413833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.413833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.413833 (E_RNA)
where:
Base-Base interactions energy: -27.381
where: short stacking energy: -16.685
Base-Backbone interact. energy: -0.264
local terms energy: -33.768556
where:
bonds (distance) C4'-P energy: -8.771
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -8.519
flat angles P-C4'-P energy: -2.723
tors. eta vs tors. theta energy: -0.642
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: 474
Temperature: 0.900000
Total energy: -182.267674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.267674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.267674 (E_RNA)
where:
Base-Base interactions energy: -117.729
where: short stacking energy: -48.913
Base-Backbone interact. energy: -0.299
local terms energy: -64.239424
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -9.715
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: 2, replica: 8
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -177.175403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.175403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.175403 (E_RNA)
where:
Base-Base interactions energy: -120.642
where: short stacking energy: -43.566
Base-Backbone interact. energy: -0.101
local terms energy: -56.432719
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -9.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -177.067383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.067383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.067383 (E_RNA)
where:
Base-Base interactions energy: -119.958
where: short stacking energy: -49.593
Base-Backbone interact. energy: -0.043
local terms energy: -57.067196
where:
bonds (distance) C4'-P energy: -8.018
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -168.619384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.619384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.619384 (E_RNA)
where:
Base-Base interactions energy: -112.833
where: short stacking energy: -43.777
Base-Backbone interact. energy: -0.007
local terms energy: -55.779312
where:
bonds (distance) C4'-P energy: -8.329
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -6.711
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: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -117.087505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.087505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.087505 (E_RNA)
where:
Base-Base interactions energy: -62.094
where: short stacking energy: -24.256
Base-Backbone interact. energy: 0.053
local terms energy: -55.046465
where:
bonds (distance) C4'-P energy: -9.004
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -9.397
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: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -69.977734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.977734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.977734 (E_RNA)
where:
Base-Base interactions energy: -28.849
where: short stacking energy: -15.219
Base-Backbone interact. energy: -0.091
local terms energy: -41.037657
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -5.729
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -71.778276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.778276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.778276 (E_RNA)
where:
Base-Base interactions energy: -26.904
where: short stacking energy: -21.469
Base-Backbone interact. energy: -0.628
local terms energy: -44.246639
where:
bonds (distance) C4'-P energy: -9.422
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -69.947218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.947218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.947218 (E_RNA)
where:
Base-Base interactions energy: -26.507
where: short stacking energy: -15.584
Base-Backbone interact. energy: 0.182
local terms energy: -43.621829
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -1.944
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: 474
Temperature: 1.300000
Total energy: -59.830459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.830459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.830459 (E_RNA)
where:
Base-Base interactions energy: -19.627
where: short stacking energy: -19.627
Base-Backbone interact. energy: -0.090
local terms energy: -40.112840
where:
bonds (distance) C4'-P energy: -7.890
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -71.802748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.802748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.802748 (E_RNA)
where:
Base-Base interactions energy: -30.592
where: short stacking energy: -17.390
Base-Backbone interact. energy: -0.156
local terms energy: -41.054603
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -7.752
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: 1, replica: 6
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -181.625491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.625491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.625491 (E_RNA)
where:
Base-Base interactions energy: -121.868
where: short stacking energy: -48.524
Base-Backbone interact. energy: -0.042
local terms energy: -59.715915
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -14.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -177.700332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.700332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.700332 (E_RNA)
where:
Base-Base interactions energy: -118.623
where: short stacking energy: -39.848
Base-Backbone interact. energy: -0.121
local terms energy: -58.956151
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -12.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -176.381083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.381083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.381083 (E_RNA)
where:
Base-Base interactions energy: -108.660
where: short stacking energy: -49.811
Base-Backbone interact. energy: -1.153
local terms energy: -66.567725
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -167.053599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.053599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.053599 (E_RNA)
where:
Base-Base interactions energy: -105.562
where: short stacking energy: -40.404
Base-Backbone interact. energy: -0.100
local terms energy: -61.391714
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -17.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -106.790216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.790216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.790216 (E_RNA)
where:
Base-Base interactions energy: -62.610
where: short stacking energy: -27.211
Base-Backbone interact. energy: -0.004
local terms energy: -44.176157
where:
bonds (distance) C4'-P energy: -7.928
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -9.350
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -8.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -85.046523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.046523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.046523 (E_RNA)
where:
Base-Base interactions energy: -40.766
where: short stacking energy: -32.059
Base-Backbone interact. energy: -0.077
local terms energy: -44.203209
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -4.096
flat angles P-C4'-P energy: -9.454
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: 7, replica: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -71.409156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.409156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.409156 (E_RNA)
where:
Base-Base interactions energy: -24.949
where: short stacking energy: -14.270
Base-Backbone interact. energy: 0.013
local terms energy: -46.473429
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -10.218
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: 8, replica: 2
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -66.301359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.301359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.301359 (E_RNA)
where:
Base-Base interactions energy: -23.503
where: short stacking energy: -17.796
Base-Backbone interact. energy: -0.082
local terms energy: -42.716582
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -5.198
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: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -63.967622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.967622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.967622 (E_RNA)
where:
Base-Base interactions energy: -18.041
where: short stacking energy: -16.078
Base-Backbone interact. energy: -0.017
local terms energy: -45.910086
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -14.189
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -5.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -60.875283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.875283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.875283 (E_RNA)
where:
Base-Base interactions energy: -23.469
where: short stacking energy: -6.547
Base-Backbone interact. energy: -0.124
local terms energy: -37.281984
where:
bonds (distance) C4'-P energy: -8.193
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -7.635
flat angles P-C4'-P energy: -6.981
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: 1, replica: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -178.639835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.639835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.639835 (E_RNA)
where:
Base-Base interactions energy: -114.836
where: short stacking energy: -46.846
Base-Backbone interact. energy: -0.052
local terms energy: -63.752490
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -7.771
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: 2, replica: 6
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -177.748591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.748591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.748591 (E_RNA)
where:
Base-Base interactions energy: -117.683
where: short stacking energy: -41.592
Base-Backbone interact. energy: -0.026
local terms energy: -60.039118
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -5.740
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: 3, replica: 5
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -176.367594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.367594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.367594 (E_RNA)
where:
Base-Base interactions energy: -116.775
where: short stacking energy: -39.013
Base-Backbone interact. energy: 0.504
local terms energy: -60.097190
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -13.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -171.744676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.744676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.744676 (E_RNA)
where:
Base-Base interactions energy: -112.656
where: short stacking energy: -46.560
Base-Backbone interact. energy: -0.009
local terms energy: -59.079716
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -8.160
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -15.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -110.901614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.901614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.901614 (E_RNA)
where:
Base-Base interactions energy: -64.742
where: short stacking energy: -17.336
Base-Backbone interact. energy: -0.010
local terms energy: -46.149793
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -4.525
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: 6, replica: 4
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -63.101583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.101583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.101583 (E_RNA)
where:
Base-Base interactions energy: -20.311
where: short stacking energy: -20.112
Base-Backbone interact. energy: -0.105
local terms energy: -42.686119
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -3.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -71.355768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.355768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.355768 (E_RNA)
where:
Base-Base interactions energy: -33.254
where: short stacking energy: -15.003
Base-Backbone interact. energy: -0.159
local terms energy: -37.942429
where:
bonds (distance) C4'-P energy: -7.762
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -1.676
tors. eta vs tors. theta energy: -4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -72.918246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.918246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.918246 (E_RNA)
where:
Base-Base interactions energy: -27.757
where: short stacking energy: -16.263
Base-Backbone interact. energy: -0.279
local terms energy: -44.882600
where:
bonds (distance) C4'-P energy: -9.678
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -4.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -58.484472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.484472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.484472 (E_RNA)
where:
Base-Base interactions energy: -12.340
where: short stacking energy: -12.340
Base-Backbone interact. energy: -0.207
local terms energy: -45.938092
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -9.357
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -61.397708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.397708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.397708 (E_RNA)
where:
Base-Base interactions energy: -25.462
where: short stacking energy: -7.336
Base-Backbone interact. energy: -0.353
local terms energy: -35.582968
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -7.790
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: 0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -180.309694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.309694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.309694 (E_RNA)
where:
Base-Base interactions energy: -122.235
where: short stacking energy: -46.487
Base-Backbone interact. energy: -0.440
local terms energy: -57.634632
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -9.224
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: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -180.343928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.343928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.343928 (E_RNA)
where:
Base-Base interactions energy: -119.167
where: short stacking energy: -47.143
Base-Backbone interact. energy: -0.220
local terms energy: -60.957161
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -176.594266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.594266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.594266 (E_RNA)
where:
Base-Base interactions energy: -111.431
where: short stacking energy: -51.445
Base-Backbone interact. energy: -0.002
local terms energy: -65.160581
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -18.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -175.331982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.331982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.331982 (E_RNA)
where:
Base-Base interactions energy: -110.839
where: short stacking energy: -51.184
Base-Backbone interact. energy: -0.032
local terms energy: -64.461159
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -115.286081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.286081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.286081 (E_RNA)
where:
Base-Base interactions energy: -70.860
where: short stacking energy: -29.839
Base-Backbone interact. energy: -0.160
local terms energy: -44.266592
where:
bonds (distance) C4'-P energy: -9.893
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -7.224
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -5.585
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: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -76.359108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.359108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.359108 (E_RNA)
where:
Base-Base interactions energy: -35.117
where: short stacking energy: -19.554
Base-Backbone interact. energy: -0.113
local terms energy: -41.128454
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -5.875
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: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -62.614706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.614706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.614706 (E_RNA)
where:
Base-Base interactions energy: -13.746
where: short stacking energy: -11.579
Base-Backbone interact. energy: -0.034
local terms energy: -48.834091
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -11.282
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: 8, replica: 9
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -79.112489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.112489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.112489 (E_RNA)
where:
Base-Base interactions energy: -36.567
where: short stacking energy: -18.062
Base-Backbone interact. energy: -0.034
local terms energy: -42.511028
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -8.848
flat angles P-C4'-P energy: -8.045
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: 9, replica: 2
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -67.084218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.084218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.084218 (E_RNA)
where:
Base-Base interactions energy: -25.663
where: short stacking energy: -13.682
Base-Backbone interact. energy: -0.232
local terms energy: -41.189337
where:
bonds (distance) C4'-P energy: -9.529
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -0.938
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: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -62.283346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.283346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.283346 (E_RNA)
where:
Base-Base interactions energy: -28.183
where: short stacking energy: -13.552
Base-Backbone interact. energy: -0.095
local terms energy: -34.004853
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -5.820
flat angles P-C4'-P energy: -7.454
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: 1, replica: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -184.929496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.929496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.929496 (E_RNA)
where:
Base-Base interactions energy: -118.163
where: short stacking energy: -47.663
Base-Backbone interact. energy: -0.028
local terms energy: -66.737990
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -182.606747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.606747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.606747 (E_RNA)
where:
Base-Base interactions energy: -118.017
where: short stacking energy: -50.959
Base-Backbone interact. energy: -0.873
local terms energy: -63.717039
where:
bonds (distance) C4'-P energy: -9.429
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -175.556414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.556414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.556414 (E_RNA)
where:
Base-Base interactions energy: -110.976
where: short stacking energy: -44.525
Base-Backbone interact. energy: -0.004
local terms energy: -64.576935
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -11.273
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -176.444787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.444787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.444787 (E_RNA)
where:
Base-Base interactions energy: -116.562
where: short stacking energy: -45.467
Base-Backbone interact. energy: -0.028
local terms energy: -59.854744
where:
bonds (distance) C4'-P energy: -8.360
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -83.834103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.834103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.834103 (E_RNA)
where:
Base-Base interactions energy: -36.248
where: short stacking energy: -25.875
Base-Backbone interact. energy: 0.301
local terms energy: -47.887751
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -79.054088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.054088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.054088 (E_RNA)
where:
Base-Base interactions energy: -47.302
where: short stacking energy: -28.806
Base-Backbone interact. energy: -0.223
local terms energy: -31.529388
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -5.159
flat angles C4'-P-C4' energy: -6.410
flat angles P-C4'-P energy: -5.671
tors. eta vs tors. theta energy: -4.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -83.621158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.621158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.621158 (E_RNA)
where:
Base-Base interactions energy: -41.366
where: short stacking energy: -15.270
Base-Backbone interact. energy: -0.111
local terms energy: -42.144521
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -8.269
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -71.691959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.691959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.691959 (E_RNA)
where:
Base-Base interactions energy: -35.862
where: short stacking energy: -17.237
Base-Backbone interact. energy: -0.531
local terms energy: -35.298636
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -8.809
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: 0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -57.030584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.030584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.030584 (E_RNA)
where:
Base-Base interactions energy: -21.917
where: short stacking energy: -11.652
Base-Backbone interact. energy: -1.256
local terms energy: -33.857651
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -5.056
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: 1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -67.627333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.627333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.627333 (E_RNA)
where:
Base-Base interactions energy: -30.706
where: short stacking energy: -9.522
Base-Backbone interact. energy: -0.051
local terms energy: -36.870929
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -5.385
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: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -176.979425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.979425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.979425 (E_RNA)
where:
Base-Base interactions energy: -116.421
where: short stacking energy: -52.002
Base-Backbone interact. energy: -0.007
local terms energy: -60.550998
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -181.354188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.354188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.354188 (E_RNA)
where:
Base-Base interactions energy: -115.187
where: short stacking energy: -50.777
Base-Backbone interact. energy: -0.307
local terms energy: -65.860400
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -176.792148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.792148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.792148 (E_RNA)
where:
Base-Base interactions energy: -114.053
where: short stacking energy: -46.471
Base-Backbone interact. energy: -0.000
local terms energy: -62.738668
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -178.206963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.206963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.206963 (E_RNA)
where:
Base-Base interactions energy: -115.498
where: short stacking energy: -47.376
Base-Backbone interact. energy: -0.049
local terms energy: -62.659816
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -10.182
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -75.539884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.539884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.539884 (E_RNA)
where:
Base-Base interactions energy: -31.704
where: short stacking energy: -18.627
Base-Backbone interact. energy: -0.150
local terms energy: -43.685789
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -2.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -79.835820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.835820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.835820 (E_RNA)
where:
Base-Base interactions energy: -36.480
where: short stacking energy: -14.449
Base-Backbone interact. energy: -0.283
local terms energy: -43.072630
where:
bonds (distance) C4'-P energy: -9.260
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -8.865
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -0.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -66.896449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.896449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.896449 (E_RNA)
where:
Base-Base interactions energy: -31.087
where: short stacking energy: -16.067
Base-Backbone interact. energy: -0.624
local terms energy: -35.185313
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -8.994
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -3.736
tors. eta vs tors. theta energy: 1.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -71.065442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.065442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.065442 (E_RNA)
where:
Base-Base interactions energy: -29.862
where: short stacking energy: -16.893
Base-Backbone interact. energy: -0.072
local terms energy: -41.131895
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -6.110
flat angles P-C4'-P energy: -5.834
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: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -61.253483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.253483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.253483 (E_RNA)
where:
Base-Base interactions energy: -17.091
where: short stacking energy: -12.579
Base-Backbone interact. energy: -0.035
local terms energy: -44.127128
where:
bonds (distance) C4'-P energy: -9.997
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: 2.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -61.505190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.505190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.505190 (E_RNA)
where:
Base-Base interactions energy: -21.617
where: short stacking energy: -13.504
Base-Backbone interact. energy: -0.372
local terms energy: -39.515860
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -8.251
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -9.666
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: 1, replica: 6
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -182.862033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.862033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.862033 (E_RNA)
where:
Base-Base interactions energy: -118.551
where: short stacking energy: -49.250
Base-Backbone interact. energy: -0.022
local terms energy: -64.288593
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -181.103362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.103362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.103362 (E_RNA)
where:
Base-Base interactions energy: -128.950
where: short stacking energy: -40.034
Base-Backbone interact. energy: -0.077
local terms energy: -52.075934
where:
bonds (distance) C4'-P energy: -8.159
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -12.206
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: 3, replica: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -177.477657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.477657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.477657 (E_RNA)
where:
Base-Base interactions energy: -115.914
where: short stacking energy: -46.161
Base-Backbone interact. energy: -0.048
local terms energy: -61.515717
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -172.029848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.029848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.029848 (E_RNA)
where:
Base-Base interactions energy: -108.154
where: short stacking energy: -40.688
Base-Backbone interact. energy: -0.007
local terms energy: -63.869213
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -15.941
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: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -103.768122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.768122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.768122 (E_RNA)
where:
Base-Base interactions energy: -64.056
where: short stacking energy: -21.946
Base-Backbone interact. energy: -0.083
local terms energy: -39.629704
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -4.218
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: 6, replica: 10
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -83.413445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.413445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.413445 (E_RNA)
where:
Base-Base interactions energy: -48.199
where: short stacking energy: -20.963
Base-Backbone interact. energy: -1.146
local terms energy: -34.068330
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -7.548
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -1.162
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -75.959147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.959147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.959147 (E_RNA)
where:
Base-Base interactions energy: -31.882
where: short stacking energy: -23.494
Base-Backbone interact. energy: -0.067
local terms energy: -44.010957
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -11.347
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -58.609123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.609123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.609123 (E_RNA)
where:
Base-Base interactions energy: -18.392
where: short stacking energy: -11.144
Base-Backbone interact. energy: -0.117
local terms energy: -40.100130
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: 0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -65.304372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.304372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.304372 (E_RNA)
where:
Base-Base interactions energy: -24.564
where: short stacking energy: -18.617
Base-Backbone interact. energy: -0.823
local terms energy: -39.917768
where:
bonds (distance) C4'-P energy: -7.575
bonds (distance) P-C4' energy: -10.998
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -6.534
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: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -57.764947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.764947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.764947 (E_RNA)
where:
Base-Base interactions energy: -19.167
where: short stacking energy: -16.897
Base-Backbone interact. energy: -0.196
local terms energy: -38.402257
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -7.589
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -1.011
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: 6
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -181.647205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.647205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.647205 (E_RNA)
where:
Base-Base interactions energy: -122.757
where: short stacking energy: -50.121
Base-Backbone interact. energy: 0.606
local terms energy: -59.495865
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -7.169
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -17.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -179.729950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.729950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.729950 (E_RNA)
where:
Base-Base interactions energy: -121.410
where: short stacking energy: -42.810
Base-Backbone interact. energy: -0.058
local terms energy: -58.261697
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -4.554
tors. eta vs tors. theta energy: -14.200
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: 7
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -171.433007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.433007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.433007 (E_RNA)
where:
Base-Base interactions energy: -112.343
where: short stacking energy: -34.537
Base-Backbone interact. energy: -0.110
local terms energy: -58.979671
where:
bonds (distance) C4'-P energy: -10.733
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -13.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -174.867189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.867189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.867189 (E_RNA)
where:
Base-Base interactions energy: -113.254
where: short stacking energy: -45.481
Base-Backbone interact. energy: -0.001
local terms energy: -61.612327
where:
bonds (distance) C4'-P energy: -10.473
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -105.014534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.014534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.014534 (E_RNA)
where:
Base-Base interactions energy: -55.183
where: short stacking energy: -34.374
Base-Backbone interact. energy: -0.004
local terms energy: -49.828294
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -7.484
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -9.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -76.347606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.347606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.347606 (E_RNA)
where:
Base-Base interactions energy: -32.170
where: short stacking energy: -25.126
Base-Backbone interact. energy: -1.052
local terms energy: -43.125900
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -7.487
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -78.797287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.797287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.797287 (E_RNA)
where:
Base-Base interactions energy: -46.737
where: short stacking energy: -17.595
Base-Backbone interact. energy: -1.291
local terms energy: -30.769756
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -8.692
flat angles C4'-P-C4' energy: -7.648
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: 3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -58.455240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.455240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.455240 (E_RNA)
where:
Base-Base interactions energy: -13.567
where: short stacking energy: -11.947
Base-Backbone interact. energy: 0.367
local terms energy: -45.255235
where:
bonds (distance) C4'-P energy: -9.385
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -3.128
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: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -59.403130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.403130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.403130 (E_RNA)
where:
Base-Base interactions energy: -21.843
where: short stacking energy: -15.175
Base-Backbone interact. energy: -0.348
local terms energy: -37.212044
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -9.498
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: 2.611
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: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -61.900752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.900752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.900752 (E_RNA)
where:
Base-Base interactions energy: -18.518
where: short stacking energy: -18.457
Base-Backbone interact. energy: -0.244
local terms energy: -43.138613
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -7.769
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -177.662575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.662575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.662575 (E_RNA)
where:
Base-Base interactions energy: -120.536
where: short stacking energy: -42.286
Base-Backbone interact. energy: -0.102
local terms energy: -57.024152
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -7.212
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: 2, replica: 6
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -178.800985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.800985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.800985 (E_RNA)
where:
Base-Base interactions energy: -115.979
where: short stacking energy: -41.773
Base-Backbone interact. energy: -0.275
local terms energy: -62.546705
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -14.990
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: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -169.580210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.580210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.580210 (E_RNA)
where:
Base-Base interactions energy: -112.726
where: short stacking energy: -44.189
Base-Backbone interact. energy: -0.020
local terms energy: -56.834553
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -9.957
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: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -171.864287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.864287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.864287 (E_RNA)
where:
Base-Base interactions energy: -107.168
where: short stacking energy: -40.055
Base-Backbone interact. energy: -0.015
local terms energy: -64.681323
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -9.775
flat angles P-C4'-P energy: -11.176
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: 5, replica: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -76.301930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.301930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.301930 (E_RNA)
where:
Base-Base interactions energy: -42.295
where: short stacking energy: -17.390
Base-Backbone interact. energy: -0.283
local terms energy: -33.724023
where:
bonds (distance) C4'-P energy: -9.140
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -4.966
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: 0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -73.435260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.435260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.435260 (E_RNA)
where:
Base-Base interactions energy: -35.415
where: short stacking energy: -19.045
Base-Backbone interact. energy: -0.149
local terms energy: -37.872021
where:
bonds (distance) C4'-P energy: -8.365
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -9.193
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -96.644393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.644393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.644393 (E_RNA)
where:
Base-Base interactions energy: -52.892
where: short stacking energy: -24.210
Base-Backbone interact. energy: 1.228
local terms energy: -44.980454
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -66.104477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.104477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.104477 (E_RNA)
where:
Base-Base interactions energy: -23.599
where: short stacking energy: -13.745
Base-Backbone interact. energy: -0.107
local terms energy: -42.398275
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -2.192
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: 1
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -65.725097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.725097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.725097 (E_RNA)
where:
Base-Base interactions energy: -23.626
where: short stacking energy: -23.017
Base-Backbone interact. energy: -0.041
local terms energy: -42.058137
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -6.412
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -2.185
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: 10, replica: 9
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -63.801521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.801521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.801521 (E_RNA)
where:
Base-Base interactions energy: -18.964
where: short stacking energy: -14.257
Base-Backbone interact. energy: -0.133
local terms energy: -44.704125
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -9.709
flat angles C4'-P-C4' energy: -10.034
flat angles P-C4'-P energy: -7.654
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: 1, replica: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -189.009995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.009995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.009995 (E_RNA)
where:
Base-Base interactions energy: -123.856
where: short stacking energy: -50.833
Base-Backbone interact. energy: -0.007
local terms energy: -65.146243
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -9.837
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: 6
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -181.002593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.002593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.002593 (E_RNA)
where:
Base-Base interactions energy: -117.519
where: short stacking energy: -42.255
Base-Backbone interact. energy: -0.671
local terms energy: -62.812248
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -16.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -167.299160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.299160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.299160 (E_RNA)
where:
Base-Base interactions energy: -111.520
where: short stacking energy: -45.335
Base-Backbone interact. energy: -0.069
local terms energy: -55.710023
where:
bonds (distance) C4'-P energy: -6.745
bonds (distance) P-C4' energy: -9.268
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -17.554
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: 4, replica: 7
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -168.059126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.059126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.059126 (E_RNA)
where:
Base-Base interactions energy: -114.023
where: short stacking energy: -50.910
Base-Backbone interact. energy: -0.110
local terms energy: -53.925487
where:
bonds (distance) C4'-P energy: -9.964
bonds (distance) P-C4' energy: -10.631
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -141.535559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.535559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.535559 (E_RNA)
where:
Base-Base interactions energy: -85.086
where: short stacking energy: -38.140
Base-Backbone interact. energy: -0.448
local terms energy: -56.001036
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -14.938
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: 6, replica: 3
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -75.241794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.241794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.241794 (E_RNA)
where:
Base-Base interactions energy: -37.234
where: short stacking energy: -16.030
Base-Backbone interact. energy: -0.042
local terms energy: -37.965411
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -77.402241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.402241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.402241 (E_RNA)
where:
Base-Base interactions energy: -33.602
where: short stacking energy: -18.504
Base-Backbone interact. energy: -0.781
local terms energy: -43.018903
where:
bonds (distance) C4'-P energy: -8.222
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -8.116
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -69.368350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.368350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.368350 (E_RNA)
where:
Base-Base interactions energy: -21.291
where: short stacking energy: -17.893
Base-Backbone interact. energy: -0.152
local terms energy: -47.925422
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -10.788
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: 9, replica: 2
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -79.263094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.263094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.263094 (E_RNA)
where:
Base-Base interactions energy: -42.020
where: short stacking energy: -15.427
Base-Backbone interact. energy: -0.097
local terms energy: -37.146328
where:
bonds (distance) C4'-P energy: -7.177
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -6.291
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -67.140628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.140628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.140628 (E_RNA)
where:
Base-Base interactions energy: -22.104
where: short stacking energy: -14.882
Base-Backbone interact. energy: -0.080
local terms energy: -44.957395
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -2.288
tors. eta vs tors. theta energy: -1.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -176.747613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.747613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.747613 (E_RNA)
where:
Base-Base interactions energy: -114.240
where: short stacking energy: -46.251
Base-Backbone interact. energy: -0.029
local terms energy: -62.478572
where:
bonds (distance) C4'-P energy: -8.651
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -15.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -181.178555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.178555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.178555 (E_RNA)
where:
Base-Base interactions energy: -119.611
where: short stacking energy: -47.625
Base-Backbone interact. energy: -0.131
local terms energy: -61.437215
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -180.653943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.653943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.653943 (E_RNA)
where:
Base-Base interactions energy: -116.464
where: short stacking energy: -46.293
Base-Backbone interact. energy: -0.719
local terms energy: -63.470520
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -173.820624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.820624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.820624 (E_RNA)
where:
Base-Base interactions energy: -113.208
where: short stacking energy: -47.057
Base-Backbone interact. energy: -0.012
local terms energy: -60.600067
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -5.196
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: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -161.754302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.754302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.754302 (E_RNA)
where:
Base-Base interactions energy: -104.912
where: short stacking energy: -39.435
Base-Backbone interact. energy: -0.081
local terms energy: -56.762052
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -7.437
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: 6, replica: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -70.336558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.336558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.336558 (E_RNA)
where:
Base-Base interactions energy: -26.652
where: short stacking energy: -22.229
Base-Backbone interact. energy: -0.464
local terms energy: -43.220375
where:
bonds (distance) C4'-P energy: -8.304
bonds (distance) P-C4' energy: -10.775
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -8.650
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: 7, replica: 1
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -77.723252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.723252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.723252 (E_RNA)
where:
Base-Base interactions energy: -36.981
where: short stacking energy: -23.103
Base-Backbone interact. energy: -0.120
local terms energy: -40.623055
where:
bonds (distance) C4'-P energy: -9.430
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -7.459
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: 8, replica: 4
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -69.982853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.982853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.982853 (E_RNA)
where:
Base-Base interactions energy: -28.445
where: short stacking energy: -18.973
Base-Backbone interact. energy: -0.390
local terms energy: -41.147297
where:
bonds (distance) C4'-P energy: -6.237
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -5.044
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: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -73.096065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.096065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.096065 (E_RNA)
where:
Base-Base interactions energy: -26.958
where: short stacking energy: -26.958
Base-Backbone interact. energy: -0.081
local terms energy: -46.056918
where:
bonds (distance) C4'-P energy: -8.383
bonds (distance) P-C4' energy: -7.386
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -9.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -59.224531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.224531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.224531 (E_RNA)
where:
Base-Base interactions energy: -23.939
where: short stacking energy: -21.368
Base-Backbone interact. energy: 0.058
local terms energy: -35.343774
where:
bonds (distance) C4'-P energy: -6.301
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -4.606
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: 6
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -175.776951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.776951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.776951 (E_RNA)
where:
Base-Base interactions energy: -114.089
where: short stacking energy: -43.935
Base-Backbone interact. energy: -0.178
local terms energy: -61.509529
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -177.271464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.271464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.271464 (E_RNA)
where:
Base-Base interactions energy: -115.214
where: short stacking energy: -41.747
Base-Backbone interact. energy: -0.086
local terms energy: -61.971067
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -10.807
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -17.610
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: 485
Temperature: 1.000000
Total energy: -176.946574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.946574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.946574 (E_RNA)
where:
Base-Base interactions energy: -111.887
where: short stacking energy: -45.420
Base-Backbone interact. energy: -0.003
local terms energy: -65.056565
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -168.518231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.518231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.518231 (E_RNA)
where:
Base-Base interactions energy: -107.326
where: short stacking energy: -41.693
Base-Backbone interact. energy: -0.285
local terms energy: -60.906897
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -16.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -160.834148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.834148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.834148 (E_RNA)
where:
Base-Base interactions energy: -108.318
where: short stacking energy: -45.255
Base-Backbone interact. energy: -0.039
local terms energy: -52.477683
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -4.087
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -66.919201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.919201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.919201 (E_RNA)
where:
Base-Base interactions energy: -23.898
where: short stacking energy: -23.898
Base-Backbone interact. energy: -0.141
local terms energy: -42.879952
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -9.675
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -61.799114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.799114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.799114 (E_RNA)
where:
Base-Base interactions energy: -25.391
where: short stacking energy: -14.239
Base-Backbone interact. energy: -0.649
local terms energy: -35.758815
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -4.348
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -8.324
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: 485
Temperature: 1.250000
Total energy: -67.805435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.805435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.805435 (E_RNA)
where:
Base-Base interactions energy: -24.030
where: short stacking energy: -20.083
Base-Backbone interact. energy: -0.056
local terms energy: -43.718967
where:
bonds (distance) C4'-P energy: -7.306
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -69.940204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.940204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.940204 (E_RNA)
where:
Base-Base interactions energy: -29.134
where: short stacking energy: -11.431
Base-Backbone interact. energy: -0.394
local terms energy: -40.412196
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: 2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -57.600544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.600544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.600544 (E_RNA)
where:
Base-Base interactions energy: -11.456
where: short stacking energy: -10.827
Base-Backbone interact. energy: -0.129
local terms energy: -46.015661
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -9.091
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: 1, replica: 8
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -180.532664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.532664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.532664 (E_RNA)
where:
Base-Base interactions energy: -118.441
where: short stacking energy: -48.158
Base-Backbone interact. energy: -0.005
local terms energy: -62.086520
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -18.347
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: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -184.166046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.166046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.166046 (E_RNA)
where:
Base-Base interactions energy: -119.895
where: short stacking energy: -46.923
Base-Backbone interact. energy: -0.002
local terms energy: -64.269732
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -16.073
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: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -176.142859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.142859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.142859 (E_RNA)
where:
Base-Base interactions energy: -116.011
where: short stacking energy: -46.242
Base-Backbone interact. energy: -0.801
local terms energy: -59.330767
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -18.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -168.132652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.132652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.132652 (E_RNA)
where:
Base-Base interactions energy: -112.795
where: short stacking energy: -43.883
Base-Backbone interact. energy: -0.070
local terms energy: -55.266908
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -15.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -166.695748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.695748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.695748 (E_RNA)
where:
Base-Base interactions energy: -111.353
where: short stacking energy: -43.049
Base-Backbone interact. energy: -0.335
local terms energy: -55.007590
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -5.398
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: 6, replica: 1
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -70.168363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.168363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.168363 (E_RNA)
where:
Base-Base interactions energy: -24.141
where: short stacking energy: -20.073
Base-Backbone interact. energy: -0.122
local terms energy: -45.905577
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -6.253
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -5.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -66.081613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.081613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.081613 (E_RNA)
where:
Base-Base interactions energy: -23.897
where: short stacking energy: -20.598
Base-Backbone interact. energy: -0.057
local terms energy: -42.127473
where:
bonds (distance) C4'-P energy: -4.744
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -57.504819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.504819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.504819 (E_RNA)
where:
Base-Base interactions energy: -22.324
where: short stacking energy: -18.403
Base-Backbone interact. energy: -0.055
local terms energy: -35.126135
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -6.918
flat angles P-C4'-P energy: -0.959
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: 9, replica: 2
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -60.233881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.233881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.233881 (E_RNA)
where:
Base-Base interactions energy: -21.144
where: short stacking energy: -18.499
Base-Backbone interact. energy: 0.114
local terms energy: -39.203615
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -6.945
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -55.200879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.200879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.200879 (E_RNA)
where:
Base-Base interactions energy: -12.314
where: short stacking energy: -4.810
Base-Backbone interact. energy: 0.777
local terms energy: -43.664250
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: 0.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -179.402047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.402047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.402047 (E_RNA)
where:
Base-Base interactions energy: -113.710
where: short stacking energy: -43.815
Base-Backbone interact. energy: -0.077
local terms energy: -65.615030
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -179.756086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.756086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.756086 (E_RNA)
where:
Base-Base interactions energy: -121.209
where: short stacking energy: -44.159
Base-Backbone interact. energy: -0.013
local terms energy: -58.533444
where:
bonds (distance) C4'-P energy: -10.018
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -176.565149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.565149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.565149 (E_RNA)
where:
Base-Base interactions energy: -117.345
where: short stacking energy: -45.404
Base-Backbone interact. energy: 0.044
local terms energy: -59.263759
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -14.671
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: 10
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -170.273198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.273198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.273198 (E_RNA)
where:
Base-Base interactions energy: -108.213
where: short stacking energy: -45.069
Base-Backbone interact. energy: -0.651
local terms energy: -61.409705
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -8.888
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: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -172.320731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.320731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.320731 (E_RNA)
where:
Base-Base interactions energy: -113.122
where: short stacking energy: -41.705
Base-Backbone interact. energy: -0.497
local terms energy: -58.702146
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -9.123
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -73.724918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.724918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.724918 (E_RNA)
where:
Base-Base interactions energy: -37.279
where: short stacking energy: -13.354
Base-Backbone interact. energy: -0.138
local terms energy: -36.308173
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -6.242
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: 7, replica: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -61.911918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.911918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.911918 (E_RNA)
where:
Base-Base interactions energy: -19.983
where: short stacking energy: -19.983
Base-Backbone interact. energy: -0.161
local terms energy: -41.768068
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -60.461104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.461104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.461104 (E_RNA)
where:
Base-Base interactions energy: -20.854
where: short stacking energy: -20.215
Base-Backbone interact. energy: -0.048
local terms energy: -39.559435
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -5.726
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -64.151808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.151808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.151808 (E_RNA)
where:
Base-Base interactions energy: -19.631
where: short stacking energy: -10.066
Base-Backbone interact. energy: -0.029
local terms energy: -44.491628
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -7.922
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: 10, replica: 4
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -74.857606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.857606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.857606 (E_RNA)
where:
Base-Base interactions energy: -34.036
where: short stacking energy: -16.501
Base-Backbone interact. energy: 0.640
local terms energy: -41.462158
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -9.844
flat angles C4'-P-C4' energy: -8.462
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -3.471
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: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -183.810087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.810087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.810087 (E_RNA)
where:
Base-Base interactions energy: -116.839
where: short stacking energy: -45.874
Base-Backbone interact. energy: -0.192
local terms energy: -66.779675
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -178.913745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.913745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.913745 (E_RNA)
where:
Base-Base interactions energy: -114.396
where: short stacking energy: -48.762
Base-Backbone interact. energy: -0.020
local terms energy: -64.497635
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -171.444527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.444527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.444527 (E_RNA)
where:
Base-Base interactions energy: -111.840
where: short stacking energy: -41.014
Base-Backbone interact. energy: -0.114
local terms energy: -59.489983
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -8.616
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: 4, replica: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -170.409199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.409199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.409199 (E_RNA)
where:
Base-Base interactions energy: -104.879
where: short stacking energy: -34.851
Base-Backbone interact. energy: -0.612
local terms energy: -64.917688
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -18.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -164.029395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.029395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.029395 (E_RNA)
where:
Base-Base interactions energy: -109.740
where: short stacking energy: -42.821
Base-Backbone interact. energy: -0.294
local terms energy: -53.995103
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -9.568
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -14.295
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: 6, replica: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -71.630810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.630810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.630810 (E_RNA)
where:
Base-Base interactions energy: -32.430
where: short stacking energy: -20.820
Base-Backbone interact. energy: 0.945
local terms energy: -40.145877
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -9.020
flat angles C4'-P-C4' energy: -6.311
flat angles P-C4'-P energy: -8.272
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: 7, replica: 2
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -76.758078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.758078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.758078 (E_RNA)
where:
Base-Base interactions energy: -31.019
where: short stacking energy: -9.045
Base-Backbone interact. energy: 0.853
local terms energy: -46.592384
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -7.149
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: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -65.514274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.514274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.514274 (E_RNA)
where:
Base-Base interactions energy: -23.962
where: short stacking energy: -11.782
Base-Backbone interact. energy: -0.091
local terms energy: -41.461765
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -7.564
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: 0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -62.815466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.815466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.815466 (E_RNA)
where:
Base-Base interactions energy: -27.458
where: short stacking energy: -12.173
Base-Backbone interact. energy: 1.032
local terms energy: -36.389413
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -3.230
tors. eta vs tors. theta energy: 2.032
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: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -54.948151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -54.948151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -54.948151 (E_RNA)
where:
Base-Base interactions energy: -25.321
where: short stacking energy: -12.074
Base-Backbone interact. energy: -0.218
local terms energy: -29.409139
where:
bonds (distance) C4'-P energy: -7.049
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -6.982
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: 2.491
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: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -180.280454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.280454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.280454 (E_RNA)
where:
Base-Base interactions energy: -118.098
where: short stacking energy: -50.613
Base-Backbone interact. energy: 0.819
local terms energy: -63.001368
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -9.622
flat angles P-C4'-P energy: -9.798
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: 2, replica: 8
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -174.553448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.553448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.553448 (E_RNA)
where:
Base-Base interactions energy: -113.430
where: short stacking energy: -44.840
Base-Backbone interact. energy: -0.033
local terms energy: -61.090930
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -7.796
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: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -173.292077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.292077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.292077 (E_RNA)
where:
Base-Base interactions energy: -112.861
where: short stacking energy: -40.920
Base-Backbone interact. energy: -0.108
local terms energy: -60.322542
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -11.735
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: 7
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -172.865658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.865658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.865658 (E_RNA)
where:
Base-Base interactions energy: -112.505
where: short stacking energy: -42.878
Base-Backbone interact. energy: -0.056
local terms energy: -60.304334
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -169.444200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.444200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.444200 (E_RNA)
where:
Base-Base interactions energy: -106.875
where: short stacking energy: -29.781
Base-Backbone interact. energy: -0.214
local terms energy: -62.354779
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -68.702864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.702864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.702864 (E_RNA)
where:
Base-Base interactions energy: -25.403
where: short stacking energy: -8.337
Base-Backbone interact. energy: 1.297
local terms energy: -44.597161
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -6.629
tors. eta vs tors. theta energy: 1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -67.425459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.425459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.425459 (E_RNA)
where:
Base-Base interactions energy: -30.745
where: short stacking energy: -19.495
Base-Backbone interact. energy: -0.825
local terms energy: -35.855894
where:
bonds (distance) C4'-P energy: -7.566
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: 4.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -81.908533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.908533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.908533 (E_RNA)
where:
Base-Base interactions energy: -37.976
where: short stacking energy: -14.069
Base-Backbone interact. energy: -0.131
local terms energy: -43.801397
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -0.422
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: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -59.488619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.488619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.488619 (E_RNA)
where:
Base-Base interactions energy: -16.078
where: short stacking energy: -16.078
Base-Backbone interact. energy: -0.026
local terms energy: -43.384366
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -2.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -76.569164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.569164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.569164 (E_RNA)
where:
Base-Base interactions energy: -37.075
where: short stacking energy: -12.508
Base-Backbone interact. energy: -0.422
local terms energy: -39.072065
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -6.276
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: 490
Temperature: 0.900000
Total energy: -180.853291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.853291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.853291 (E_RNA)
where:
Base-Base interactions energy: -118.364
where: short stacking energy: -43.654
Base-Backbone interact. energy: -0.037
local terms energy: -62.451757
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -4.332
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -176.380817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.380817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.380817 (E_RNA)
where:
Base-Base interactions energy: -115.393
where: short stacking energy: -39.064
Base-Backbone interact. energy: -0.501
local terms energy: -60.486708
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -177.176040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.176040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.176040 (E_RNA)
where:
Base-Base interactions energy: -116.924
where: short stacking energy: -47.203
Base-Backbone interact. energy: -0.019
local terms energy: -60.232203
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -17.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -165.286170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.286170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.286170 (E_RNA)
where:
Base-Base interactions energy: -111.253
where: short stacking energy: -43.467
Base-Backbone interact. energy: -0.081
local terms energy: -53.952480
where:
bonds (distance) C4'-P energy: -8.683
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -175.342800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.342800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.342800 (E_RNA)
where:
Base-Base interactions energy: -115.486
where: short stacking energy: -48.338
Base-Backbone interact. energy: -0.424
local terms energy: -59.433498
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -120.058121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.058121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.058121 (E_RNA)
where:
Base-Base interactions energy: -68.918
where: short stacking energy: -25.524
Base-Backbone interact. energy: -0.246
local terms energy: -50.893851
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -7.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -78.880994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.880994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.880994 (E_RNA)
where:
Base-Base interactions energy: -45.615
where: short stacking energy: -9.319
Base-Backbone interact. energy: -0.144
local terms energy: -33.122138
where:
bonds (distance) C4'-P energy: -7.947
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -6.123
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: 0.145
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: 8, replica: 2
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -82.128110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.128110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.128110 (E_RNA)
where:
Base-Base interactions energy: -45.180
where: short stacking energy: -12.487
Base-Backbone interact. energy: -0.220
local terms energy: -36.727791
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -2.461
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -0.002
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: 3
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -61.068694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.068694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.068694 (E_RNA)
where:
Base-Base interactions energy: -19.470
where: short stacking energy: -19.470
Base-Backbone interact. energy: -0.006
local terms energy: -41.592072
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -7.913
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -55.737804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.737804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.737804 (E_RNA)
where:
Base-Base interactions energy: -19.845
where: short stacking energy: -19.845
Base-Backbone interact. energy: -0.183
local terms energy: -35.709387
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -7.323
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: -1.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -183.602317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.602317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.602317 (E_RNA)
where:
Base-Base interactions energy: -120.395
where: short stacking energy: -47.967
Base-Backbone interact. energy: -0.838
local terms energy: -62.369568
where:
bonds (distance) C4'-P energy: -7.546
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -18.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -176.247724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.247724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.247724 (E_RNA)
where:
Base-Base interactions energy: -118.086
where: short stacking energy: -40.432
Base-Backbone interact. energy: -0.031
local terms energy: -58.131385
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -170.684363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.684363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.684363 (E_RNA)
where:
Base-Base interactions energy: -109.395
where: short stacking energy: -43.853
Base-Backbone interact. energy: -0.614
local terms energy: -60.674856
where:
bonds (distance) C4'-P energy: -9.454
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -18.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -167.807224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.807224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.807224 (E_RNA)
where:
Base-Base interactions energy: -107.518
where: short stacking energy: -43.710
Base-Backbone interact. energy: -0.004
local terms energy: -60.285207
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -10.431
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: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -150.700690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.700690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.700690 (E_RNA)
where:
Base-Base interactions energy: -99.773
where: short stacking energy: -35.973
Base-Backbone interact. energy: -0.039
local terms energy: -50.889323
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -13.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -150.935721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.935721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.935721 (E_RNA)
where:
Base-Base interactions energy: -101.073
where: short stacking energy: -43.662
Base-Backbone interact. energy: -0.090
local terms energy: -49.773454
where:
bonds (distance) C4'-P energy: -7.255
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -9.477
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -94.915148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.915148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.915148 (E_RNA)
where:
Base-Base interactions energy: -48.094
where: short stacking energy: -26.977
Base-Backbone interact. energy: -0.974
local terms energy: -45.847144
where:
bonds (distance) C4'-P energy: -9.934
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -9.635
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: 8, replica: 2
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -69.710189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.710189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.710189 (E_RNA)
where:
Base-Base interactions energy: -27.995
where: short stacking energy: -18.585
Base-Backbone interact. energy: -0.539
local terms energy: -41.175270
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -9.158
flat angles C4'-P-C4' energy: -9.257
flat angles P-C4'-P energy: -7.543
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: 9, replica: 3
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -66.293337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.293337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.293337 (E_RNA)
where:
Base-Base interactions energy: -22.818
where: short stacking energy: -13.965
Base-Backbone interact. energy: -0.429
local terms energy: -43.045822
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: 0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -58.588816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.588816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.588816 (E_RNA)
where:
Base-Base interactions energy: -19.606
where: short stacking energy: -19.606
Base-Backbone interact. energy: -0.068
local terms energy: -38.914708
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -4.829
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: 1, replica: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -185.162565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.162565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.162565 (E_RNA)
where:
Base-Base interactions energy: -117.917
where: short stacking energy: -45.496
Base-Backbone interact. energy: 0.194
local terms energy: -67.439129
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -16.310
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: 2, replica: 6
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -183.678749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.678749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.678749 (E_RNA)
where:
Base-Base interactions energy: -121.525
where: short stacking energy: -47.836
Base-Backbone interact. energy: -0.002
local terms energy: -62.151882
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -168.811709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.811709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.811709 (E_RNA)
where:
Base-Base interactions energy: -108.729
where: short stacking energy: -45.200
Base-Backbone interact. energy: -0.068
local terms energy: -60.014958
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -158.635914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.635914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.635914 (E_RNA)
where:
Base-Base interactions energy: -106.523
where: short stacking energy: -37.188
Base-Backbone interact. energy: -0.656
local terms energy: -51.456132
where:
bonds (distance) C4'-P energy: -7.727
bonds (distance) P-C4' energy: -9.791
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -12.817
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: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -164.300080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.300080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.300080 (E_RNA)
where:
Base-Base interactions energy: -105.405
where: short stacking energy: -42.904
Base-Backbone interact. energy: -0.017
local terms energy: -58.878155
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -6.825
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -134.370140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.370140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.370140 (E_RNA)
where:
Base-Base interactions energy: -93.319
where: short stacking energy: -33.345
Base-Backbone interact. energy: -0.027
local terms energy: -41.024166
where:
bonds (distance) C4'-P energy: -2.777
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -5.211
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -11.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -78.941501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.941501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.941501 (E_RNA)
where:
Base-Base interactions energy: -34.746
where: short stacking energy: -15.719
Base-Backbone interact. energy: -0.146
local terms energy: -44.049709
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -6.122
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: 8, replica: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -63.906798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.906798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.906798 (E_RNA)
where:
Base-Base interactions energy: -24.042
where: short stacking energy: -15.742
Base-Backbone interact. energy: -1.434
local terms energy: -38.430945
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -7.026
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -1.420
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: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -55.732666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.732666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.732666 (E_RNA)
where:
Base-Base interactions energy: -13.563
where: short stacking energy: -5.485
Base-Backbone interact. energy: 0.768
local terms energy: -42.937934
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: 3.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -50.617837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -50.617837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -50.617837 (E_RNA)
where:
Base-Base interactions energy: -19.358
where: short stacking energy: -16.431
Base-Backbone interact. energy: -0.181
local terms energy: -31.078526
where:
bonds (distance) C4'-P energy: -6.854
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: 4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -179.105726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.105726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.105726 (E_RNA)
where:
Base-Base interactions energy: -119.134
where: short stacking energy: -49.607
Base-Backbone interact. energy: -0.009
local terms energy: -59.962647
where:
bonds (distance) C4'-P energy: -8.368
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -7.205
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: 2, replica: 5
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -178.567742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.567742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.567742 (E_RNA)
where:
Base-Base interactions energy: -115.761
where: short stacking energy: -46.843
Base-Backbone interact. energy: -0.002
local terms energy: -62.805250
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -10.790
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: 3, replica: 6
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -178.883209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.883209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.883209 (E_RNA)
where:
Base-Base interactions energy: -119.389
where: short stacking energy: -50.468
Base-Backbone interact. energy: -0.850
local terms energy: -58.644404
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -8.460
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: 4, replica: 9
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -172.434081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.434081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.434081 (E_RNA)
where:
Base-Base interactions energy: -116.970
where: short stacking energy: -46.747
Base-Backbone interact. energy: -1.854
local terms energy: -53.609890
where:
bonds (distance) C4'-P energy: -8.597
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -6.437
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: 493
Temperature: 1.100000
Total energy: -168.554575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.554575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.554575 (E_RNA)
where:
Base-Base interactions energy: -106.003
where: short stacking energy: -41.207
Base-Backbone interact. energy: -0.244
local terms energy: -62.307111
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -9.216
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: 6, replica: 10
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -136.930675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.930675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.930675 (E_RNA)
where:
Base-Base interactions energy: -87.702
where: short stacking energy: -34.503
Base-Backbone interact. energy: -0.419
local terms energy: -48.810379
where:
bonds (distance) C4'-P energy: -7.968
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -11.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -60.521615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.521615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.521615 (E_RNA)
where:
Base-Base interactions energy: -20.621
where: short stacking energy: -16.228
Base-Backbone interact. energy: -0.114
local terms energy: -39.786207
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -67.607622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.607622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.607622 (E_RNA)
where:
Base-Base interactions energy: -23.895
where: short stacking energy: -11.379
Base-Backbone interact. energy: -1.342
local terms energy: -42.371246
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -0.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -64.044659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.044659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.044659 (E_RNA)
where:
Base-Base interactions energy: -17.385
where: short stacking energy: -7.909
Base-Backbone interact. energy: -0.288
local terms energy: -46.371990
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -72.045099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.045099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.045099 (E_RNA)
where:
Base-Base interactions energy: -32.466
where: short stacking energy: -8.744
Base-Backbone interact. energy: -0.089
local terms energy: -39.489981
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -9.469
flat angles C4'-P-C4' energy: -8.864
flat angles P-C4'-P energy: -8.526
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: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -178.351892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.351892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.351892 (E_RNA)
where:
Base-Base interactions energy: -113.095
where: short stacking energy: -42.061
Base-Backbone interact. energy: 0.162
local terms energy: -65.418560
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -8.912
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: 2, replica: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -173.295875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.295875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.295875 (E_RNA)
where:
Base-Base interactions energy: -111.443
where: short stacking energy: -45.662
Base-Backbone interact. energy: -0.014
local terms energy: -61.838942
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -7.861
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: 3, replica: 9
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -176.390634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.390634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.390634 (E_RNA)
where:
Base-Base interactions energy: -114.251
where: short stacking energy: -46.907
Base-Backbone interact. energy: -0.027
local terms energy: -62.112400
where:
bonds (distance) C4'-P energy: -11.695
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -14.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -168.026544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.026544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.026544 (E_RNA)
where:
Base-Base interactions energy: -105.959
where: short stacking energy: -43.587
Base-Backbone interact. energy: -0.003
local terms energy: -62.064829
where:
bonds (distance) C4'-P energy: -11.934
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -166.424872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.424872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.424872 (E_RNA)
where:
Base-Base interactions energy: -108.254
where: short stacking energy: -40.416
Base-Backbone interact. energy: -0.057
local terms energy: -58.113196
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -8.073
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: 10
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -159.990328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.990328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.990328 (E_RNA)
where:
Base-Base interactions energy: -106.738
where: short stacking energy: -42.009
Base-Backbone interact. energy: 1.114
local terms energy: -54.366474
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -7.356
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -67.908948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.908948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.908948 (E_RNA)
where:
Base-Base interactions energy: -25.074
where: short stacking energy: -19.480
Base-Backbone interact. energy: 0.353
local terms energy: -43.187352
where:
bonds (distance) C4'-P energy: -8.188
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -4.643
tors. eta vs tors. theta energy: -6.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -59.485271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.485271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.485271 (E_RNA)
where:
Base-Base interactions energy: -14.085
where: short stacking energy: -13.021
Base-Backbone interact. energy: -0.320
local terms energy: -45.080742
where:
bonds (distance) C4'-P energy: -9.645
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -66.331562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.331562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.331562 (E_RNA)
where:
Base-Base interactions energy: -17.338
where: short stacking energy: -17.239
Base-Backbone interact. energy: -0.313
local terms energy: -48.680921
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -10.121
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: 10, replica: 4
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -66.438417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.438417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.438417 (E_RNA)
where:
Base-Base interactions energy: -30.710
where: short stacking energy: -7.002
Base-Backbone interact. energy: -0.965
local terms energy: -34.763947
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -7.294
flat angles P-C4'-P energy: -5.864
tors. eta vs tors. theta energy: 2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -182.959454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.959454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.959454 (E_RNA)
where:
Base-Base interactions energy: -118.304
where: short stacking energy: -41.938
Base-Backbone interact. energy: 0.324
local terms energy: -64.979746
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -17.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -176.993769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.993769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.993769 (E_RNA)
where:
Base-Base interactions energy: -115.247
where: short stacking energy: -48.528
Base-Backbone interact. energy: -0.010
local terms energy: -61.736636
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -175.596086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.596086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.596086 (E_RNA)
where:
Base-Base interactions energy: -113.545
where: short stacking energy: -43.379
Base-Backbone interact. energy: -0.040
local terms energy: -62.011325
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -171.609268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.609268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.609268 (E_RNA)
where:
Base-Base interactions energy: -113.248
where: short stacking energy: -44.532
Base-Backbone interact. energy: -0.008
local terms energy: -58.353802
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -9.915
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -16.021
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: 5, replica: 6
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -168.944052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.944052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.944052 (E_RNA)
where:
Base-Base interactions energy: -105.744
where: short stacking energy: -46.878
Base-Backbone interact. energy: -0.007
local terms energy: -63.193170
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -15.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -167.449454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.449454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.449454 (E_RNA)
where:
Base-Base interactions energy: -113.867
where: short stacking energy: -41.748
Base-Backbone interact. energy: -0.001
local terms energy: -53.581357
where:
bonds (distance) C4'-P energy: -7.372
bonds (distance) P-C4' energy: -7.850
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -14.594
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: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -57.430903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.430903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.430903 (E_RNA)
where:
Base-Base interactions energy: -18.087
where: short stacking energy: -17.499
Base-Backbone interact. energy: -0.164
local terms energy: -39.179552
where:
bonds (distance) C4'-P energy: -10.514
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -7.143
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -64.201268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.201268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.201268 (E_RNA)
where:
Base-Base interactions energy: -20.834
where: short stacking energy: -20.068
Base-Backbone interact. energy: -0.016
local terms energy: -43.351354
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -11.263
flat angles C4'-P-C4' energy: -6.761
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -5.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -61.198168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.198168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.198168 (E_RNA)
where:
Base-Base interactions energy: -20.174
where: short stacking energy: -16.663
Base-Backbone interact. energy: -0.157
local terms energy: -40.867609
where:
bonds (distance) C4'-P energy: -8.201
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -0.592
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: 10, replica: 4
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -66.686616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.686616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.686616 (E_RNA)
where:
Base-Base interactions energy: -35.164
where: short stacking energy: -16.415
Base-Backbone interact. energy: -0.198
local terms energy: -31.325405
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -10.013
flat angles C4'-P-C4' energy: -3.573
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -181.501739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.501739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.501739 (E_RNA)
where:
Base-Base interactions energy: -116.469
where: short stacking energy: -44.813
Base-Backbone interact. energy: -0.001
local terms energy: -65.032299
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -16.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -174.182790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.182790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.182790 (E_RNA)
where:
Base-Base interactions energy: -112.646
where: short stacking energy: -43.792
Base-Backbone interact. energy: -0.105
local terms energy: -61.432073
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -8.712
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -175.805959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.805959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.805959 (E_RNA)
where:
Base-Base interactions energy: -119.323
where: short stacking energy: -47.959
Base-Backbone interact. energy: -0.065
local terms energy: -56.418414
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -10.168
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -172.695128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.695128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.695128 (E_RNA)
where:
Base-Base interactions energy: -113.285
where: short stacking energy: -49.495
Base-Backbone interact. energy: -0.006
local terms energy: -59.404043
where:
bonds (distance) C4'-P energy: -8.751
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -161.026675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.026675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.026675 (E_RNA)
where:
Base-Base interactions energy: -104.905
where: short stacking energy: -44.122
Base-Backbone interact. energy: 0.199
local terms energy: -56.321367
where:
bonds (distance) C4'-P energy: -7.488
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -156.306525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.306525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.306525 (E_RNA)
where:
Base-Base interactions energy: -102.627
where: short stacking energy: -39.544
Base-Backbone interact. energy: -0.226
local terms energy: -53.453404
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -12.593
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: 3
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -72.117400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.117400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.117400 (E_RNA)
where:
Base-Base interactions energy: -23.759
where: short stacking energy: -18.846
Base-Backbone interact. energy: 0.465
local terms energy: -48.823348
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -61.646070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.646070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.646070 (E_RNA)
where:
Base-Base interactions energy: -25.334
where: short stacking energy: -11.894
Base-Backbone interact. energy: -0.012
local terms energy: -36.299678
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -6.077
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: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -57.065872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.065872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.065872 (E_RNA)
where:
Base-Base interactions energy: -21.422
where: short stacking energy: -12.658
Base-Backbone interact. energy: -1.326
local terms energy: -34.317100
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -8.671
flat angles P-C4'-P energy: -4.019
tors. eta vs tors. theta energy: 1.138
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: 2
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -63.263799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.263799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.263799 (E_RNA)
where:
Base-Base interactions energy: -28.061
where: short stacking energy: -7.205
Base-Backbone interact. energy: -0.137
local terms energy: -35.066281
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -9.631
flat angles C4'-P-C4' energy: -10.138
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: 3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -184.475109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.475109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.475109 (E_RNA)
where:
Base-Base interactions energy: -122.274
where: short stacking energy: -48.103
Base-Backbone interact. energy: -0.056
local terms energy: -62.144860
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -18.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -179.155786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.155786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.155786 (E_RNA)
where:
Base-Base interactions energy: -114.750
where: short stacking energy: -45.076
Base-Backbone interact. energy: -0.187
local terms energy: -64.218720
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -9.136
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: 3, replica: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -171.198453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.198453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.198453 (E_RNA)
where:
Base-Base interactions energy: -108.125
where: short stacking energy: -44.526
Base-Backbone interact. energy: 0.208
local terms energy: -63.281190
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -12.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -171.589432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.589432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.589432 (E_RNA)
where:
Base-Base interactions energy: -119.384
where: short stacking energy: -40.752
Base-Backbone interact. energy: -0.093
local terms energy: -52.113286
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -9.255
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -12.609
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: 8
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -168.959829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.959829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.959829 (E_RNA)
where:
Base-Base interactions energy: -112.448
where: short stacking energy: -46.929
Base-Backbone interact. energy: -0.174
local terms energy: -56.337908
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -13.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -67.482619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.482619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.482619 (E_RNA)
where:
Base-Base interactions energy: -23.996
where: short stacking energy: -15.470
Base-Backbone interact. energy: -0.174
local terms energy: -43.313140
where:
bonds (distance) C4'-P energy: -6.614
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -7.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -135.176384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.176384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.176384 (E_RNA)
where:
Base-Base interactions energy: -81.075
where: short stacking energy: -29.161
Base-Backbone interact. energy: -0.011
local terms energy: -54.090905
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -3.069
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -61.104308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.104308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.104308 (E_RNA)
where:
Base-Base interactions energy: -25.579
where: short stacking energy: -15.642
Base-Backbone interact. energy: -0.300
local terms energy: -35.225014
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -10.116
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -2.745
tors. eta vs tors. theta energy: 0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -61.428586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.428586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.428586 (E_RNA)
where:
Base-Base interactions energy: -24.513
where: short stacking energy: -13.891
Base-Backbone interact. energy: -0.010
local terms energy: -36.905436
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -10.708
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -1.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -56.238892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.238892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.238892 (E_RNA)
where:
Base-Base interactions energy: -17.722
where: short stacking energy: -7.798
Base-Backbone interact. energy: -1.050
local terms energy: -37.466281
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -10.530
flat angles C4'-P-C4' energy: -6.418
flat angles P-C4'-P energy: -9.472
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: 1, replica: 5
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -184.603876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.603876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.603876 (E_RNA)
where:
Base-Base interactions energy: -119.308
where: short stacking energy: -46.097
Base-Backbone interact. energy: -0.492
local terms energy: -64.804481
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -180.249361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.249361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.249361 (E_RNA)
where:
Base-Base interactions energy: -118.635
where: short stacking energy: -50.913
Base-Backbone interact. energy: -0.107
local terms energy: -61.507333
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -10.080
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: 3, replica: 6
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -168.230953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.230953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.230953 (E_RNA)
where:
Base-Base interactions energy: -117.169
where: short stacking energy: -30.876
Base-Backbone interact. energy: -0.333
local terms energy: -50.729092
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -8.894
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -174.242438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.242438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.242438 (E_RNA)
where:
Base-Base interactions energy: -112.704
where: short stacking energy: -47.299
Base-Backbone interact. energy: -0.000
local terms energy: -61.538392
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -16.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -169.844847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.844847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.844847 (E_RNA)
where:
Base-Base interactions energy: -113.659
where: short stacking energy: -42.377
Base-Backbone interact. energy: -0.192
local terms energy: -55.994045
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -12.905
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: 6, replica: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -79.566612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.566612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.566612 (E_RNA)
where:
Base-Base interactions energy: -38.643
where: short stacking energy: -17.105
Base-Backbone interact. energy: -0.394
local terms energy: -40.530065
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -9.888
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -2.326
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -71.353956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.353956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.353956 (E_RNA)
where:
Base-Base interactions energy: -39.152
where: short stacking energy: -5.237
Base-Backbone interact. energy: -0.145
local terms energy: -32.056802
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -4.298
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: 5.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -80.081471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.081471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.081471 (E_RNA)
where:
Base-Base interactions energy: -38.646
where: short stacking energy: -22.374
Base-Backbone interact. energy: -0.099
local terms energy: -41.336412
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -5.417
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: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -68.175788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.175788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.175788 (E_RNA)
where:
Base-Base interactions energy: -28.819
where: short stacking energy: -20.035
Base-Backbone interact. energy: 0.680
local terms energy: -40.037419
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -8.958
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -4.285
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -65.034529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.034529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.034529 (E_RNA)
where:
Base-Base interactions energy: -20.747
where: short stacking energy: -16.422
Base-Backbone interact. energy: -0.005
local terms energy: -44.282323
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -7.825
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -182.283758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.283758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.283758 (E_RNA)
where:
Base-Base interactions energy: -115.129
where: short stacking energy: -44.019
Base-Backbone interact. energy: -0.029
local terms energy: -67.125693
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -17.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -167.746511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.746511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.746511 (E_RNA)
where:
Base-Base interactions energy: -114.103
where: short stacking energy: -32.448
Base-Backbone interact. energy: -0.551
local terms energy: -53.092461
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -13.075
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: 9
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -168.297620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.297620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.297620 (E_RNA)
where:
Base-Base interactions energy: -112.426
where: short stacking energy: -47.119
Base-Backbone interact. energy: -0.040
local terms energy: -55.832027
where:
bonds (distance) C4'-P energy: -8.668
bonds (distance) P-C4' energy: -10.316
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -15.817
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: 7
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -177.043451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.043451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.043451 (E_RNA)
where:
Base-Base interactions energy: -112.653
where: short stacking energy: -50.230
Base-Backbone interact. energy: -0.031
local terms energy: -64.358615
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -9.055
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: 5, replica: 8
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -170.858601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.858601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.858601 (E_RNA)
where:
Base-Base interactions energy: -118.034
where: short stacking energy: -37.195
Base-Backbone interact. energy: -0.762
local terms energy: -52.063327
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -8.383
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -12.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -82.170254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.170254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.170254 (E_RNA)
where:
Base-Base interactions energy: -36.086
where: short stacking energy: -36.086
Base-Backbone interact. energy: -0.065
local terms energy: -46.019462
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -2.932
tors. eta vs tors. theta energy: -9.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -83.098295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.098295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.098295 (E_RNA)
where:
Base-Base interactions energy: -33.878
where: short stacking energy: -22.083
Base-Backbone interact. energy: -0.006
local terms energy: -49.214577
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -4.424
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -10.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -63.979504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.979504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.979504 (E_RNA)
where:
Base-Base interactions energy: -22.028
where: short stacking energy: -21.682
Base-Backbone interact. energy: -0.145
local terms energy: -41.806637
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -7.639
flat angles P-C4'-P energy: -6.015
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: 9, replica: 10
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -57.753329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.753329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.753329 (E_RNA)
where:
Base-Base interactions energy: -14.545
where: short stacking energy: -10.397
Base-Backbone interact. energy: -0.600
local terms energy: -42.607933
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -2.457
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: 4
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -57.780534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.780534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.780534 (E_RNA)
where:
Base-Base interactions energy: -16.070
where: short stacking energy: -12.386
Base-Backbone interact. energy: -0.084
local terms energy: -41.626223
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: 1.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -184.197327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.197327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.197327 (E_RNA)
where:
Base-Base interactions energy: -122.274
where: short stacking energy: -42.849
Base-Backbone interact. energy: -0.639
local terms energy: -61.283978
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -14.536
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: 5
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -181.131555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.131555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.131555 (E_RNA)
where:
Base-Base interactions energy: -110.964
where: short stacking energy: -45.259
Base-Backbone interact. energy: -0.033
local terms energy: -70.134657
where:
bonds (distance) C4'-P energy: -13.330
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -173.551548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.551548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.551548 (E_RNA)
where:
Base-Base interactions energy: -112.676
where: short stacking energy: -42.709
Base-Backbone interact. energy: -0.728
local terms energy: -60.147330
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -165.435588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.435588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.435588 (E_RNA)
where:
Base-Base interactions energy: -113.091
where: short stacking energy: -34.210
Base-Backbone interact. energy: -0.052
local terms energy: -52.292386
where:
bonds (distance) C4'-P energy: -7.758
bonds (distance) P-C4' energy: -10.217
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -167.292692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.292692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.292692 (E_RNA)
where:
Base-Base interactions energy: -104.607
where: short stacking energy: -47.992
Base-Backbone interact. energy: -0.002
local terms energy: -62.683569
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -5.936
tors. eta vs tors. theta energy: -16.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -68.260752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.260752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.260752 (E_RNA)
where:
Base-Base interactions energy: -25.896
where: short stacking energy: -8.310
Base-Backbone interact. energy: -1.220
local terms energy: -41.144612
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -6.647
flat angles P-C4'-P energy: -7.672
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: 7, replica: 2
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -78.387765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.387765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.387765 (E_RNA)
where:
Base-Base interactions energy: -27.675
where: short stacking energy: -19.085
Base-Backbone interact. energy: -0.068
local terms energy: -50.645160
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -10.319
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: 8, replica: 3
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -80.433383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.433383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.433383 (E_RNA)
where:
Base-Base interactions energy: -42.892
where: short stacking energy: -11.222
Base-Backbone interact. energy: -0.055
local terms energy: -37.487079
where:
bonds (distance) C4'-P energy: -8.497
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: 0.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -60.932069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.932069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.932069 (E_RNA)
where:
Base-Base interactions energy: -22.508
where: short stacking energy: -9.689
Base-Backbone interact. energy: -0.349
local terms energy: -38.075366
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -10.504
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -6.641
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: 10, replica: 10
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -60.465128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.465128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.465128 (E_RNA)
where:
Base-Base interactions energy: -15.745
where: short stacking energy: -15.745
Base-Backbone interact. energy: -0.113
local terms energy: -44.606719
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -178.207046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.207046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.207046 (E_RNA)
where:
Base-Base interactions energy: -114.791
where: short stacking energy: -46.354
Base-Backbone interact. energy: -0.001
local terms energy: -63.414819
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -15.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -180.724326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.724326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.724326 (E_RNA)
where:
Base-Base interactions energy: -115.949
where: short stacking energy: -43.264
Base-Backbone interact. energy: -0.005
local terms energy: -64.770238
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -10.009
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: 9
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -174.437009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.437009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.437009 (E_RNA)
where:
Base-Base interactions energy: -114.580
where: short stacking energy: -40.920
Base-Backbone interact. energy: -0.003
local terms energy: -59.854737
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -6.179
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: 4, replica: 8
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -171.769202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.769202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.769202 (E_RNA)
where:
Base-Base interactions energy: -114.995
where: short stacking energy: -41.239
Base-Backbone interact. energy: -0.005
local terms energy: -56.769889
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -8.098
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -14.188
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: 5, replica: 7
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -165.284364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.284364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.284364 (E_RNA)
where:
Base-Base interactions energy: -110.435
where: short stacking energy: -41.610
Base-Backbone interact. energy: -1.751
local terms energy: -53.098418
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -9.291
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -4.789
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: 6, replica: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -72.712285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.712285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.712285 (E_RNA)
where:
Base-Base interactions energy: -31.306
where: short stacking energy: -19.781
Base-Backbone interact. energy: -0.107
local terms energy: -41.299760
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -9.377
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: 0.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -73.081912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.081912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.081912 (E_RNA)
where:
Base-Base interactions energy: -28.258
where: short stacking energy: -20.879
Base-Backbone interact. energy: -0.100
local terms energy: -44.724013
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -89.309774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.309774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.309774 (E_RNA)
where:
Base-Base interactions energy: -56.277
where: short stacking energy: -17.098
Base-Backbone interact. energy: 2.070
local terms energy: -35.102896
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -4.527
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: 9, replica: 3
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -67.163763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.163763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.163763 (E_RNA)
where:
Base-Base interactions energy: -27.693
where: short stacking energy: -8.110
Base-Backbone interact. energy: -0.503
local terms energy: -38.968369
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -8.562
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: 10, replica: 10
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -59.663796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.663796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.663796 (E_RNA)
where:
Base-Base interactions energy: -28.208
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.468
local terms energy: -30.987600
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: 8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 5 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 13392515
moves confirmed later: 15774342
all moves confirmed: 29166857
percent of confirmed moves: 3.645857
current total energy: -165.783710
recalc. total energy: -165.783710
replica 6 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 13879498
moves confirmed later: 16402324
all moves confirmed: 30281822
percent of confirmed moves: 3.785228
current total energy: -154.308690
recalc. total energy: -154.308690
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 15048385
moves confirmed later: 17985323
all moves confirmed: 33033708
percent of confirmed moves: 4.129213
current total energy: -155.373162
recalc. total energy: -155.373162
replica 9 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 15813838
moves confirmed later: 19019609
all moves confirmed: 34833447
percent of confirmed moves: 4.354181
current total energy: -142.631428
recalc. total energy: -142.631428
replica 7 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 10079179
moves confirmed later: 11304464
all moves confirmed: 21383643
percent of confirmed moves: 2.672955
current total energy: -127.261427
recalc. total energy: -127.261427
replica 2 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 15822719
moves confirmed later: 18999083
all moves confirmed: 34821802
percent of confirmed moves: 4.352725
current total energy: -36.206273
recalc. total energy: -36.206273
replica 4 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 21209790
moves confirmed later: 26250223
all moves confirmed: 47460013
percent of confirmed moves: 5.932502
current total energy: -45.960944
recalc. total energy: -45.960944
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 15359664
moves confirmed later: 18400585
all moves confirmed: 33760249
percent of confirmed moves: 4.220031
current total energy: -31.965651
recalc. total energy: -31.965651
replica 3 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 15500749
moves confirmed later: 18571661
all moves confirmed: 34072410
percent of confirmed moves: 4.259051
current total energy: -55.574763
recalc. total energy: -55.574763
replica 10 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 20790228
moves confirmed later: 25707004
all moves confirmed: 46497232
percent of confirmed moves: 5.812154
current total energy: -36.839696
recalc. total energy: -36.839696
out arg RESULTS//1/MALAT1-17mer-d08088ee_01
Time of doing 8000000 iterations: 2082.972 seconds