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/PROFESSOR-ca34bdee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-ca34bdee/inputs/seq.fa: 1
curr_seq: _GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU
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 38 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: 195
n_atoms_counter: 195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 38.000000 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/PROFESSOR-ca34bdee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-ca34bdee/inputs/seq.fa: 1
curr_seq: _GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU
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 38 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: 195
n_atoms_counter: 195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 38.000000 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/PROFESSOR-ca34bdee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-ca34bdee/inputs/seq.fa: 1
curr_seq: _GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU
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 38 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: 195
n_atoms_counter: 195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 38.000000 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/PROFESSOR-ca34bdee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-ca34bdee/inputs/seq.fa: 1
curr_seq: _GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU
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 38 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: 195
n_atoms_counter: 195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 38.000000 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/PROFESSOR-ca34bdee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-ca34bdee/inputs/seq.fa: 1
curr_seq: _GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU
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 38 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: 195
n_atoms_counter: 195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 38.000000 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/PROFESSOR-ca34bdee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-ca34bdee/inputs/seq.fa: 1
curr_seq: _GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU
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 38 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: 195
n_atoms_counter: 195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 38.000000 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/PROFESSOR-ca34bdee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-ca34bdee/inputs/seq.fa: 1
curr_seq: _GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU
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 38 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: 195
n_atoms_counter: 195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 38.000000 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/PROFESSOR-ca34bdee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-ca34bdee/inputs/seq.fa: 1
curr_seq: _GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU
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 38 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: 195
n_atoms_counter: 195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 38.000000 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/PROFESSOR-ca34bdee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-ca34bdee/inputs/seq.fa: 1
curr_seq: _GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU
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 38 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: 195
n_atoms_counter: 195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 38.000000 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/PROFESSOR-ca34bdee/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PROFESSOR-ca34bdee/inputs/seq.fa: 1
curr_seq: _GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGUGGUGGUUGUGGUGGUGGUGGAAAAAUgUcgcUU
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 38 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: 195
n_atoms_counter: 195
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 38.000000 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: -145.399671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.399671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.399671 (E_RNA)
where:
Base-Base interactions energy: 2.866
where: short stacking energy: 2.866
Base-Backbone interact. energy: -0.000
local terms energy: -148.265513
where:
bonds (distance) C4'-P energy: -36.920
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -145.399671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.399671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.399671 (E_RNA)
where:
Base-Base interactions energy: 2.866
where: short stacking energy: 2.866
Base-Backbone interact. energy: -0.000
local terms energy: -148.265513
where:
bonds (distance) C4'-P energy: -36.920
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -145.399671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.399671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.399671 (E_RNA)
where:
Base-Base interactions energy: 2.866
where: short stacking energy: 2.866
Base-Backbone interact. energy: -0.000
local terms energy: -148.265513
where:
bonds (distance) C4'-P energy: -36.920
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -145.399671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.399671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.399671 (E_RNA)
where:
Base-Base interactions energy: 2.866
where: short stacking energy: 2.866
Base-Backbone interact. energy: -0.000
local terms energy: -148.265513
where:
bonds (distance) C4'-P energy: -36.920
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -145.399671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.399671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.399671 (E_RNA)
where:
Base-Base interactions energy: 2.866
where: short stacking energy: 2.866
Base-Backbone interact. energy: -0.000
local terms energy: -148.265513
where:
bonds (distance) C4'-P energy: -36.920
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -16.638
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -145.399671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.399671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.399671 (E_RNA)
where:
Base-Base interactions energy: 2.866
where: short stacking energy: 2.866
Base-Backbone interact. energy: -0.000
local terms energy: -148.265513
where:
bonds (distance) C4'-P energy: -36.920
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -16.638
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -145.399671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.399671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.399671 (E_RNA)
where:
Base-Base interactions energy: 2.866
where: short stacking energy: 2.866
Base-Backbone interact. energy: -0.000
local terms energy: -148.265513
where:
bonds (distance) C4'-P energy: -36.920
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -16.638
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -145.399671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.399671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.399671 (E_RNA)
where:
Base-Base interactions energy: 2.866
where: short stacking energy: 2.866
Base-Backbone interact. energy: -0.000
local terms energy: -148.265513
where:
bonds (distance) C4'-P energy: -36.920
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -145.399671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.399671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.399671 (E_RNA)
where:
Base-Base interactions energy: 2.866
where: short stacking energy: 2.866
Base-Backbone interact. energy: -0.000
local terms energy: -148.265513
where:
bonds (distance) C4'-P energy: -36.920
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -16.638
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -145.399671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.399671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.399671 (E_RNA)
where:
Base-Base interactions energy: 2.866
where: short stacking energy: 2.866
Base-Backbone interact. energy: -0.000
local terms energy: -148.265513
where:
bonds (distance) C4'-P energy: -36.920
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -16.638
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -227.385488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.385488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.385488 (E_RNA)
where:
Base-Base interactions energy: -107.639
where: short stacking energy: -107.639
Base-Backbone interact. energy: -0.034
local terms energy: -119.712045
where:
bonds (distance) C4'-P energy: -20.262
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -27.568
flat angles P-C4'-P energy: -21.435
tors. eta vs tors. theta energy: -26.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -236.393557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.393557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.393557 (E_RNA)
where:
Base-Base interactions energy: -114.713
where: short stacking energy: -112.582
Base-Backbone interact. energy: -0.064
local terms energy: -121.616943
where:
bonds (distance) C4'-P energy: -24.458
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -27.200
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -30.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -224.375394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.375394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.375394 (E_RNA)
where:
Base-Base interactions energy: -103.930
where: short stacking energy: -87.121
Base-Backbone interact. energy: -0.168
local terms energy: -120.276877
where:
bonds (distance) C4'-P energy: -24.002
bonds (distance) P-C4' energy: -31.194
flat angles C4'-P-C4' energy: -28.216
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -23.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -209.204154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.204154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.204154 (E_RNA)
where:
Base-Base interactions energy: -107.229
where: short stacking energy: -77.595
Base-Backbone interact. energy: 1.749
local terms energy: -103.723758
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -28.292
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -16.483
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -180.673124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.673124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.673124 (E_RNA)
where:
Base-Base interactions energy: -79.083
where: short stacking energy: -69.372
Base-Backbone interact. energy: 0.943
local terms energy: -102.533178
where:
bonds (distance) C4'-P energy: -29.164
bonds (distance) P-C4' energy: -26.321
flat angles C4'-P-C4' energy: -24.432
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -13.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -169.941798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.941798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.941798 (E_RNA)
where:
Base-Base interactions energy: -71.447
where: short stacking energy: -71.447
Base-Backbone interact. energy: -0.202
local terms energy: -98.292808
where:
bonds (distance) C4'-P energy: -20.710
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -29.308
flat angles P-C4'-P energy: -12.065
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -146.610816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.610816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.610816 (E_RNA)
where:
Base-Base interactions energy: -58.216
where: short stacking energy: -51.775
Base-Backbone interact. energy: -3.063
local terms energy: -85.331447
where:
bonds (distance) C4'-P energy: -22.574
bonds (distance) P-C4' energy: -24.715
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -16.825
tors. eta vs tors. theta energy: 1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -146.253255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.253255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.253255 (E_RNA)
where:
Base-Base interactions energy: -63.736
where: short stacking energy: -54.420
Base-Backbone interact. energy: 0.136
local terms energy: -82.652872
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -15.904
tors. eta vs tors. theta energy: -7.085
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -160.644208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.644208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.644208 (E_RNA)
where:
Base-Base interactions energy: -61.077
where: short stacking energy: -60.383
Base-Backbone interact. energy: -0.931
local terms energy: -98.636393
where:
bonds (distance) C4'-P energy: -18.114
bonds (distance) P-C4' energy: -26.397
flat angles C4'-P-C4' energy: -26.656
flat angles P-C4'-P energy: -17.510
tors. eta vs tors. theta energy: -9.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -146.104269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.104269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.104269 (E_RNA)
where:
Base-Base interactions energy: 1.066
where: short stacking energy: 1.066
Base-Backbone interact. energy: -0.000
local terms energy: -147.170109
where:
bonds (distance) C4'-P energy: -36.804
bonds (distance) P-C4' energy: -34.885
flat angles C4'-P-C4' energy: -27.316
flat angles P-C4'-P energy: -31.878
tors. eta vs tors. theta energy: -16.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -234.972666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.972666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.972666 (E_RNA)
where:
Base-Base interactions energy: -113.832
where: short stacking energy: -113.832
Base-Backbone interact. energy: -0.044
local terms energy: -121.096729
where:
bonds (distance) C4'-P energy: -23.528
bonds (distance) P-C4' energy: -29.719
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -23.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -216.381195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.381195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.381195 (E_RNA)
where:
Base-Base interactions energy: -109.713
where: short stacking energy: -101.993
Base-Backbone interact. energy: -0.060
local terms energy: -106.608650
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -23.951
flat angles C4'-P-C4' energy: -27.086
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -22.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -253.689225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.689225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.689225 (E_RNA)
where:
Base-Base interactions energy: -134.055
where: short stacking energy: -97.097
Base-Backbone interact. energy: 0.436
local terms energy: -120.070304
where:
bonds (distance) C4'-P energy: -28.522
bonds (distance) P-C4' energy: -26.968
flat angles C4'-P-C4' energy: -24.842
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: -23.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -191.226937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.226937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.226937 (E_RNA)
where:
Base-Base interactions energy: -98.142
where: short stacking energy: -74.989
Base-Backbone interact. energy: -0.477
local terms energy: -92.607121
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -22.707
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -16.217
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -239.280939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.280939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.280939 (E_RNA)
where:
Base-Base interactions energy: -123.933
where: short stacking energy: -86.818
Base-Backbone interact. energy: 0.630
local terms energy: -115.977986
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -27.506
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -21.174
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -162.122080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.122080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.122080 (E_RNA)
where:
Base-Base interactions energy: -73.813
where: short stacking energy: -63.387
Base-Backbone interact. energy: -0.369
local terms energy: -87.939470
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -28.383
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -17.184
tors. eta vs tors. theta energy: -9.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -166.396978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.396978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.396978 (E_RNA)
where:
Base-Base interactions energy: -72.318
where: short stacking energy: -61.642
Base-Backbone interact. energy: 2.583
local terms energy: -96.662198
where:
bonds (distance) C4'-P energy: -23.595
bonds (distance) P-C4' energy: -26.036
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -16.419
tors. eta vs tors. theta energy: -9.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -136.836532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.836532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.836532 (E_RNA)
where:
Base-Base interactions energy: -45.746
where: short stacking energy: -35.849
Base-Backbone interact. energy: -0.991
local terms energy: -90.098757
where:
bonds (distance) C4'-P energy: -30.194
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -23.676
flat angles P-C4'-P energy: -15.903
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: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -127.713625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.713625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.713625 (E_RNA)
where:
Base-Base interactions energy: -58.620
where: short stacking energy: -57.727
Base-Backbone interact. energy: 3.730
local terms energy: -72.824194
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -24.457
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -12.400
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -127.673262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.673262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.673262 (E_RNA)
where:
Base-Base interactions energy: -50.104
where: short stacking energy: -48.595
Base-Backbone interact. energy: -0.249
local terms energy: -77.319645
where:
bonds (distance) C4'-P energy: -22.737
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -23.306
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -3.677
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: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -261.752023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.752023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.752023 (E_RNA)
where:
Base-Base interactions energy: -132.124
where: short stacking energy: -110.468
Base-Backbone interact. energy: -0.298
local terms energy: -129.329547
where:
bonds (distance) C4'-P energy: -26.306
bonds (distance) P-C4' energy: -31.339
flat angles C4'-P-C4' energy: -24.284
flat angles P-C4'-P energy: -16.953
tors. eta vs tors. theta energy: -30.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -238.228076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.228076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.228076 (E_RNA)
where:
Base-Base interactions energy: -124.177
where: short stacking energy: -111.539
Base-Backbone interact. energy: -0.201
local terms energy: -113.850419
where:
bonds (distance) C4'-P energy: -24.427
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -24.113
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -27.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -264.766504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.766504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.766504 (E_RNA)
where:
Base-Base interactions energy: -146.142
where: short stacking energy: -92.225
Base-Backbone interact. energy: -0.144
local terms energy: -118.480213
where:
bonds (distance) C4'-P energy: -24.783
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -25.918
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -26.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -249.183522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.183522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.183522 (E_RNA)
where:
Base-Base interactions energy: -135.669
where: short stacking energy: -76.934
Base-Backbone interact. energy: 0.697
local terms energy: -114.212289
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -24.310
flat angles C4'-P-C4' energy: -26.671
flat angles P-C4'-P energy: -16.900
tors. eta vs tors. theta energy: -18.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -244.760205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.760205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.760205 (E_RNA)
where:
Base-Base interactions energy: -141.014
where: short stacking energy: -74.183
Base-Backbone interact. energy: -0.827
local terms energy: -102.919820
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -29.131
flat angles C4'-P-C4' energy: -24.876
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -17.192
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: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -155.257892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.257892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.257892 (E_RNA)
where:
Base-Base interactions energy: -60.181
where: short stacking energy: -51.608
Base-Backbone interact. energy: -1.145
local terms energy: -93.932345
where:
bonds (distance) C4'-P energy: -23.640
bonds (distance) P-C4' energy: -27.596
flat angles C4'-P-C4' energy: -25.341
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -154.967738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.967738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.967738 (E_RNA)
where:
Base-Base interactions energy: -65.761
where: short stacking energy: -64.003
Base-Backbone interact. energy: -0.373
local terms energy: -88.834209
where:
bonds (distance) C4'-P energy: -28.327
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -6.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -133.502409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.502409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.502409 (E_RNA)
where:
Base-Base interactions energy: -52.864
where: short stacking energy: -48.213
Base-Backbone interact. energy: -0.461
local terms energy: -80.177140
where:
bonds (distance) C4'-P energy: -22.874
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -13.887
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: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -138.730455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.730455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.730455 (E_RNA)
where:
Base-Base interactions energy: -50.622
where: short stacking energy: -50.622
Base-Backbone interact. energy: 0.025
local terms energy: -88.133370
where:
bonds (distance) C4'-P energy: -26.732
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -126.604905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.604905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.604905 (E_RNA)
where:
Base-Base interactions energy: -45.343
where: short stacking energy: -30.140
Base-Backbone interact. energy: -1.122
local terms energy: -80.140483
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -24.194
flat angles P-C4'-P energy: -14.698
tors. eta vs tors. theta energy: 2.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -265.624807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.624807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.624807 (E_RNA)
where:
Base-Base interactions energy: -140.244
where: short stacking energy: -121.840
Base-Backbone interact. energy: -0.017
local terms energy: -125.363828
where:
bonds (distance) C4'-P energy: -24.469
bonds (distance) P-C4' energy: -25.901
flat angles C4'-P-C4' energy: -30.232
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -29.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -243.601027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.601027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.601027 (E_RNA)
where:
Base-Base interactions energy: -114.168
where: short stacking energy: -93.645
Base-Backbone interact. energy: -0.594
local terms energy: -128.838645
where:
bonds (distance) C4'-P energy: -26.839
bonds (distance) P-C4' energy: -26.639
flat angles C4'-P-C4' energy: -30.186
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -28.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -221.479935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.479935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.479935 (E_RNA)
where:
Base-Base interactions energy: -109.073
where: short stacking energy: -98.368
Base-Backbone interact. energy: -0.085
local terms energy: -112.322494
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -26.859
flat angles C4'-P-C4' energy: -24.027
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -21.293
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: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -282.111756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.111756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.111756 (E_RNA)
where:
Base-Base interactions energy: -168.801
where: short stacking energy: -98.121
Base-Backbone interact. energy: -0.629
local terms energy: -112.682202
where:
bonds (distance) C4'-P energy: -25.388
bonds (distance) P-C4' energy: -28.415
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -25.074
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: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -246.370143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.370143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.370143 (E_RNA)
where:
Base-Base interactions energy: -139.350
where: short stacking energy: -90.426
Base-Backbone interact. energy: -0.520
local terms energy: -106.499271
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -25.026
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -15.738
tors. eta vs tors. theta energy: -22.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -158.171720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.171720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.171720 (E_RNA)
where:
Base-Base interactions energy: -67.188
where: short stacking energy: -56.461
Base-Backbone interact. energy: 0.742
local terms energy: -91.725864
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -24.050
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -11.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -156.415022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.415022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.415022 (E_RNA)
where:
Base-Base interactions energy: -71.850
where: short stacking energy: -62.915
Base-Backbone interact. energy: -0.535
local terms energy: -84.030518
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -187.569167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.569167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.569167 (E_RNA)
where:
Base-Base interactions energy: -99.316
where: short stacking energy: -71.609
Base-Backbone interact. energy: 0.540
local terms energy: -88.793144
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -24.721
flat angles C4'-P-C4' energy: -19.951
flat angles P-C4'-P energy: -11.915
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: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -131.856987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.856987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.856987 (E_RNA)
where:
Base-Base interactions energy: -45.540
where: short stacking energy: -41.605
Base-Backbone interact. energy: -0.124
local terms energy: -86.192906
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -25.938
flat angles C4'-P-C4' energy: -25.605
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -125.158865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.158865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.158865 (E_RNA)
where:
Base-Base interactions energy: -54.481
where: short stacking energy: -46.963
Base-Backbone interact. energy: -0.827
local terms energy: -69.851445
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -23.088
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: 2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -255.935533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.935533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.935533 (E_RNA)
where:
Base-Base interactions energy: -128.928
where: short stacking energy: -109.108
Base-Backbone interact. energy: -0.399
local terms energy: -126.608249
where:
bonds (distance) C4'-P energy: -27.417
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -25.831
flat angles P-C4'-P energy: -19.917
tors. eta vs tors. theta energy: -31.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -237.328194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.328194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.328194 (E_RNA)
where:
Base-Base interactions energy: -127.817
where: short stacking energy: -105.536
Base-Backbone interact. energy: -0.789
local terms energy: -108.722256
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -24.916
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: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -305.298070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.298070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.298070 (E_RNA)
where:
Base-Base interactions energy: -184.557
where: short stacking energy: -103.528
Base-Backbone interact. energy: -2.294
local terms energy: -118.447261
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -25.536
flat angles C4'-P-C4' energy: -22.724
flat angles P-C4'-P energy: -25.749
tors. eta vs tors. theta energy: -22.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -205.367351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.367351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.367351 (E_RNA)
where:
Base-Base interactions energy: -104.751
where: short stacking energy: -94.838
Base-Backbone interact. energy: -0.223
local terms energy: -100.392907
where:
bonds (distance) C4'-P energy: -25.661
bonds (distance) P-C4' energy: -28.421
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -248.027272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.027272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.027272 (E_RNA)
where:
Base-Base interactions energy: -151.828
where: short stacking energy: -86.777
Base-Backbone interact. energy: -0.387
local terms energy: -95.811819
where:
bonds (distance) C4'-P energy: -21.881
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -20.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -167.302858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.302858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.302858 (E_RNA)
where:
Base-Base interactions energy: -69.282
where: short stacking energy: -58.483
Base-Backbone interact. energy: -0.382
local terms energy: -97.639049
where:
bonds (distance) C4'-P energy: -31.647
bonds (distance) P-C4' energy: -25.094
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -8.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -211.714153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.714153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.714153 (E_RNA)
where:
Base-Base interactions energy: -112.220
where: short stacking energy: -65.977
Base-Backbone interact. energy: -0.460
local terms energy: -99.034400
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -28.837
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -17.141
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: 8, replica: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -166.113268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.113268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.113268 (E_RNA)
where:
Base-Base interactions energy: -81.708
where: short stacking energy: -48.251
Base-Backbone interact. energy: -0.227
local terms energy: -84.178271
where:
bonds (distance) C4'-P energy: -24.574
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -4.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -145.873653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.873653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.873653 (E_RNA)
where:
Base-Base interactions energy: -43.388
where: short stacking energy: -43.249
Base-Backbone interact. energy: -2.220
local terms energy: -100.265165
where:
bonds (distance) C4'-P energy: -27.476
bonds (distance) P-C4' energy: -27.524
flat angles C4'-P-C4' energy: -23.603
flat angles P-C4'-P energy: -19.304
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -121.850287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.850287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.850287 (E_RNA)
where:
Base-Base interactions energy: -41.857
where: short stacking energy: -37.475
Base-Backbone interact. energy: -0.392
local terms energy: -79.601167
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -26.780
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -11.527
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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -225.511861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.511861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.511861 (E_RNA)
where:
Base-Base interactions energy: -114.809
where: short stacking energy: -94.013
Base-Backbone interact. energy: -0.403
local terms energy: -110.299754
where:
bonds (distance) C4'-P energy: -28.566
bonds (distance) P-C4' energy: -26.021
flat angles C4'-P-C4' energy: -25.355
flat angles P-C4'-P energy: -16.240
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: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -352.506915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.506915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.506915 (E_RNA)
where:
Base-Base interactions energy: -216.318
where: short stacking energy: -129.997
Base-Backbone interact. energy: -2.764
local terms energy: -133.425143
where:
bonds (distance) C4'-P energy: -23.894
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -29.837
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: -36.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -245.711628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.711628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.711628 (E_RNA)
where:
Base-Base interactions energy: -148.695
where: short stacking energy: -93.990
Base-Backbone interact. energy: -0.281
local terms energy: -96.735193
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -334.915891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.915891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.915891 (E_RNA)
where:
Base-Base interactions energy: -217.058
where: short stacking energy: -122.355
Base-Backbone interact. energy: -0.480
local terms energy: -117.377483
where:
bonds (distance) C4'-P energy: -20.416
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -31.116
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -31.137
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: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -174.124925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.124925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.124925 (E_RNA)
where:
Base-Base interactions energy: -76.716
where: short stacking energy: -72.520
Base-Backbone interact. energy: -0.156
local terms energy: -97.252467
where:
bonds (distance) C4'-P energy: -29.155
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -10.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -225.597317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.597317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.597317 (E_RNA)
where:
Base-Base interactions energy: -132.362
where: short stacking energy: -86.899
Base-Backbone interact. energy: -1.558
local terms energy: -91.677182
where:
bonds (distance) C4'-P energy: -24.410
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -166.685841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.685841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.685841 (E_RNA)
where:
Base-Base interactions energy: -84.567
where: short stacking energy: -60.329
Base-Backbone interact. energy: -0.324
local terms energy: -81.794721
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -23.456
flat angles C4'-P-C4' energy: -25.493
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -6.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -154.788978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.788978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.788978 (E_RNA)
where:
Base-Base interactions energy: -74.143
where: short stacking energy: -38.328
Base-Backbone interact. energy: -0.432
local terms energy: -80.213422
where:
bonds (distance) C4'-P energy: -27.303
bonds (distance) P-C4' energy: -26.274
flat angles C4'-P-C4' energy: -21.742
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: 9.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -135.901753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.901753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.901753 (E_RNA)
where:
Base-Base interactions energy: -56.790
where: short stacking energy: -51.071
Base-Backbone interact. energy: -0.673
local terms energy: -78.438846
where:
bonds (distance) C4'-P energy: -23.035
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -120.333679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.333679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.333679 (E_RNA)
where:
Base-Base interactions energy: -48.476
where: short stacking energy: -36.132
Base-Backbone interact. energy: -0.098
local terms energy: -71.759411
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -24.418
flat angles C4'-P-C4' energy: -22.327
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: 2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -372.246153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.246153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.246153 (E_RNA)
where:
Base-Base interactions energy: -237.660
where: short stacking energy: -135.753
Base-Backbone interact. energy: 3.052
local terms energy: -137.637965
where:
bonds (distance) C4'-P energy: -28.674
bonds (distance) P-C4' energy: -24.235
flat angles C4'-P-C4' energy: -31.281
flat angles P-C4'-P energy: -15.343
tors. eta vs tors. theta energy: -38.104
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: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -251.932704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.932704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.932704 (E_RNA)
where:
Base-Base interactions energy: -132.296
where: short stacking energy: -99.123
Base-Backbone interact. energy: -0.398
local terms energy: -119.238955
where:
bonds (distance) C4'-P energy: -25.355
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -27.043
flat angles P-C4'-P energy: -20.883
tors. eta vs tors. theta energy: -24.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -338.056333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.056333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.056333 (E_RNA)
where:
Base-Base interactions energy: -220.633
where: short stacking energy: -122.101
Base-Backbone interact. energy: -1.487
local terms energy: -115.935974
where:
bonds (distance) C4'-P energy: -23.462
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -33.780
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: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -266.900882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.900882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.900882 (E_RNA)
where:
Base-Base interactions energy: -165.572
where: short stacking energy: -91.273
Base-Backbone interact. energy: 1.566
local terms energy: -102.894837
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -26.746
flat angles C4'-P-C4' energy: -25.145
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -13.495
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: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -273.992953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.992953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.992953 (E_RNA)
where:
Base-Base interactions energy: -167.045
where: short stacking energy: -94.161
Base-Backbone interact. energy: -1.542
local terms energy: -105.406098
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -27.265
flat angles C4'-P-C4' energy: -22.083
flat angles P-C4'-P energy: -19.302
tors. eta vs tors. theta energy: -26.404
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: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -186.797765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.797765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.797765 (E_RNA)
where:
Base-Base interactions energy: -98.034
where: short stacking energy: -78.228
Base-Backbone interact. energy: -0.976
local terms energy: -87.788099
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -25.159
flat angles C4'-P-C4' energy: -20.864
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -11.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -165.192302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.192302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.192302 (E_RNA)
where:
Base-Base interactions energy: -69.092
where: short stacking energy: -68.303
Base-Backbone interact. energy: -0.837
local terms energy: -95.262788
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -29.914
flat angles C4'-P-C4' energy: -24.926
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -142.397616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.397616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.397616 (E_RNA)
where:
Base-Base interactions energy: -57.967
where: short stacking energy: -58.567
Base-Backbone interact. energy: -0.305
local terms energy: -84.126307
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -23.189
flat angles C4'-P-C4' energy: -28.141
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -146.932384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.932384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.932384 (E_RNA)
where:
Base-Base interactions energy: -59.174
where: short stacking energy: -54.836
Base-Backbone interact. energy: 1.310
local terms energy: -89.068003
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -26.047
flat angles C4'-P-C4' energy: -26.630
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -123.623343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.623343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.623343 (E_RNA)
where:
Base-Base interactions energy: -51.453
where: short stacking energy: -44.572
Base-Backbone interact. energy: 0.051
local terms energy: -72.220504
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -24.696
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -0.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -350.931115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.931115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.931115 (E_RNA)
where:
Base-Base interactions energy: -207.438
where: short stacking energy: -126.458
Base-Backbone interact. energy: -0.963
local terms energy: -142.529771
where:
bonds (distance) C4'-P energy: -25.685
bonds (distance) P-C4' energy: -29.302
flat angles C4'-P-C4' energy: -27.786
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -39.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -362.661134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.661134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.661134 (E_RNA)
where:
Base-Base interactions energy: -221.125
where: short stacking energy: -110.846
Base-Backbone interact. energy: -0.630
local terms energy: -140.905756
where:
bonds (distance) C4'-P energy: -24.745
bonds (distance) P-C4' energy: -30.681
flat angles C4'-P-C4' energy: -28.952
flat angles P-C4'-P energy: -22.022
tors. eta vs tors. theta energy: -34.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -272.548072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.548072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.548072 (E_RNA)
where:
Base-Base interactions energy: -166.119
where: short stacking energy: -100.414
Base-Backbone interact. energy: -1.183
local terms energy: -105.245523
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -29.352
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -300.340819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.340819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.340819 (E_RNA)
where:
Base-Base interactions energy: -171.979
where: short stacking energy: -99.405
Base-Backbone interact. energy: -0.109
local terms energy: -128.252112
where:
bonds (distance) C4'-P energy: -23.832
bonds (distance) P-C4' energy: -27.872
flat angles C4'-P-C4' energy: -29.989
flat angles P-C4'-P energy: -20.041
tors. eta vs tors. theta energy: -26.519
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: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -254.091561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.091561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.091561 (E_RNA)
where:
Base-Base interactions energy: -148.214
where: short stacking energy: -91.632
Base-Backbone interact. energy: 0.277
local terms energy: -106.155270
where:
bonds (distance) C4'-P energy: -27.395
bonds (distance) P-C4' energy: -26.961
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -15.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -210.658877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.658877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.658877 (E_RNA)
where:
Base-Base interactions energy: -108.260
where: short stacking energy: -69.119
Base-Backbone interact. energy: -0.889
local terms energy: -101.510455
where:
bonds (distance) C4'-P energy: -24.630
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -26.248
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -13.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -178.130251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.130251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.130251 (E_RNA)
where:
Base-Base interactions energy: -76.825
where: short stacking energy: -58.140
Base-Backbone interact. energy: -0.606
local terms energy: -100.698772
where:
bonds (distance) C4'-P energy: -28.624
bonds (distance) P-C4' energy: -26.855
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -20.603
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: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -152.661220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.661220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.661220 (E_RNA)
where:
Base-Base interactions energy: -66.006
where: short stacking energy: -66.006
Base-Backbone interact. energy: 0.386
local terms energy: -87.041141
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -25.446
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -22.618
tors. eta vs tors. theta energy: 1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -146.911455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.911455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.911455 (E_RNA)
where:
Base-Base interactions energy: -68.194
where: short stacking energy: -49.082
Base-Backbone interact. energy: -0.532
local terms energy: -78.185569
where:
bonds (distance) C4'-P energy: -20.435
bonds (distance) P-C4' energy: -21.614
flat angles C4'-P-C4' energy: -25.147
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -130.280879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.280879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.280879 (E_RNA)
where:
Base-Base interactions energy: -56.121
where: short stacking energy: -54.263
Base-Backbone interact. energy: -0.079
local terms energy: -74.081425
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -28.002
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -391.006766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.006766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.006766 (E_RNA)
where:
Base-Base interactions energy: -257.319
where: short stacking energy: -122.785
Base-Backbone interact. energy: -1.243
local terms energy: -132.444457
where:
bonds (distance) C4'-P energy: -28.786
bonds (distance) P-C4' energy: -25.420
flat angles C4'-P-C4' energy: -25.271
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -35.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -342.464129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.464129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.464129 (E_RNA)
where:
Base-Base interactions energy: -211.929
where: short stacking energy: -104.951
Base-Backbone interact. energy: 0.594
local terms energy: -131.128588
where:
bonds (distance) C4'-P energy: -26.286
bonds (distance) P-C4' energy: -25.837
flat angles C4'-P-C4' energy: -27.986
flat angles P-C4'-P energy: -19.797
tors. eta vs tors. theta energy: -31.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -330.325269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.325269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.325269 (E_RNA)
where:
Base-Base interactions energy: -196.530
where: short stacking energy: -109.366
Base-Backbone interact. energy: -0.134
local terms energy: -133.661405
where:
bonds (distance) C4'-P energy: -22.997
bonds (distance) P-C4' energy: -28.855
flat angles C4'-P-C4' energy: -28.185
flat angles P-C4'-P energy: -21.237
tors. eta vs tors. theta energy: -32.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -307.167068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.167068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.167068 (E_RNA)
where:
Base-Base interactions energy: -194.259
where: short stacking energy: -100.856
Base-Backbone interact. energy: -0.624
local terms energy: -112.284597
where:
bonds (distance) C4'-P energy: -23.674
bonds (distance) P-C4' energy: -26.641
flat angles C4'-P-C4' energy: -29.541
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -20.300
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: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -232.744431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.744431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.744431 (E_RNA)
where:
Base-Base interactions energy: -147.154
where: short stacking energy: -79.900
Base-Backbone interact. energy: -0.284
local terms energy: -85.307231
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -26.978
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -13.976
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: 10
Temperature: 1.150000
Total energy: -198.831527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.831527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.831527 (E_RNA)
where:
Base-Base interactions energy: -120.676
where: short stacking energy: -58.883
Base-Backbone interact. energy: -0.185
local terms energy: -77.970791
where:
bonds (distance) C4'-P energy: -25.937
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -157.278650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.278650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.278650 (E_RNA)
where:
Base-Base interactions energy: -51.586
where: short stacking energy: -51.586
Base-Backbone interact. energy: -0.222
local terms energy: -105.471149
where:
bonds (distance) C4'-P energy: -26.303
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -15.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -146.055177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.055177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.055177 (E_RNA)
where:
Base-Base interactions energy: -67.407
where: short stacking energy: -66.790
Base-Backbone interact. energy: 1.363
local terms energy: -80.012023
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -21.848
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -8.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -143.430697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.430697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.430697 (E_RNA)
where:
Base-Base interactions energy: -57.684
where: short stacking energy: -56.761
Base-Backbone interact. energy: -0.307
local terms energy: -85.439803
where:
bonds (distance) C4'-P energy: -23.332
bonds (distance) P-C4' energy: -26.401
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -9.976
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: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -131.088792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.088792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.088792 (E_RNA)
where:
Base-Base interactions energy: -43.880
where: short stacking energy: -42.022
Base-Backbone interact. energy: -0.173
local terms energy: -87.036349
where:
bonds (distance) C4'-P energy: -22.780
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -6.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -400.925655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.925655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.925655 (E_RNA)
where:
Base-Base interactions energy: -263.192
where: short stacking energy: -130.934
Base-Backbone interact. energy: -0.581
local terms energy: -137.152711
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -25.652
flat angles C4'-P-C4' energy: -27.363
flat angles P-C4'-P energy: -17.871
tors. eta vs tors. theta energy: -39.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -337.531600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.531600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.531600 (E_RNA)
where:
Base-Base interactions energy: -202.160
where: short stacking energy: -121.449
Base-Backbone interact. energy: -2.392
local terms energy: -132.979330
where:
bonds (distance) C4'-P energy: -25.942
bonds (distance) P-C4' energy: -27.020
flat angles C4'-P-C4' energy: -26.702
flat angles P-C4'-P energy: -19.655
tors. eta vs tors. theta energy: -33.660
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: 11
Temperature: 1.000000
Total energy: -319.943425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.943425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.943425 (E_RNA)
where:
Base-Base interactions energy: -204.010
where: short stacking energy: -98.247
Base-Backbone interact. energy: -2.519
local terms energy: -113.414426
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -25.448
flat angles C4'-P-C4' energy: -27.972
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -31.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -320.070031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.070031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.070031 (E_RNA)
where:
Base-Base interactions energy: -212.727
where: short stacking energy: -110.031
Base-Backbone interact. energy: -0.425
local terms energy: -106.918259
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -18.869
flat angles C4'-P-C4' energy: -27.247
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -29.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -246.870070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.870070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.870070 (E_RNA)
where:
Base-Base interactions energy: -145.647
where: short stacking energy: -97.606
Base-Backbone interact. energy: 0.919
local terms energy: -102.142794
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -26.982
flat angles C4'-P-C4' energy: -27.845
flat angles P-C4'-P energy: -12.295
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: 6, replica: 3
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -176.158315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.158315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.158315 (E_RNA)
where:
Base-Base interactions energy: -91.580
where: short stacking energy: -71.951
Base-Backbone interact. energy: -1.327
local terms energy: -83.251965
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -10.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -156.784699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.784699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.784699 (E_RNA)
where:
Base-Base interactions energy: -53.024
where: short stacking energy: -52.426
Base-Backbone interact. energy: -0.782
local terms energy: -102.978607
where:
bonds (distance) C4'-P energy: -26.004
bonds (distance) P-C4' energy: -24.661
flat angles C4'-P-C4' energy: -23.881
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -8.836
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: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -152.443004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.443004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.443004 (E_RNA)
where:
Base-Base interactions energy: -66.434
where: short stacking energy: -64.146
Base-Backbone interact. energy: -0.242
local terms energy: -85.766199
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -24.437
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -9.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -123.569073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.569073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.569073 (E_RNA)
where:
Base-Base interactions energy: -45.615
where: short stacking energy: -38.428
Base-Backbone interact. energy: -0.552
local terms energy: -77.402546
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -120.683225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.683225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.683225 (E_RNA)
where:
Base-Base interactions energy: -36.304
where: short stacking energy: -36.304
Base-Backbone interact. energy: -0.525
local terms energy: -83.854034
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -23.575
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -411.225004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.225004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.225004 (E_RNA)
where:
Base-Base interactions energy: -270.361
where: short stacking energy: -133.667
Base-Backbone interact. energy: -0.012
local terms energy: -140.852040
where:
bonds (distance) C4'-P energy: -27.128
bonds (distance) P-C4' energy: -28.061
flat angles C4'-P-C4' energy: -29.002
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -40.434
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: 2, replica: 10
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -338.145317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.145317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.145317 (E_RNA)
where:
Base-Base interactions energy: -211.149
where: short stacking energy: -123.191
Base-Backbone interact. energy: -0.268
local terms energy: -126.727784
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -26.596
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -34.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -342.012037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.012037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.012037 (E_RNA)
where:
Base-Base interactions energy: -219.673
where: short stacking energy: -116.348
Base-Backbone interact. energy: 0.185
local terms energy: -122.524291
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -26.965
flat angles C4'-P-C4' energy: -22.502
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -30.054
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: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -298.925108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.925108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.925108 (E_RNA)
where:
Base-Base interactions energy: -180.716
where: short stacking energy: -86.152
Base-Backbone interact. energy: -1.757
local terms energy: -116.452383
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -29.291
flat angles P-C4'-P energy: -18.039
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -241.592330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.592330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.592330 (E_RNA)
where:
Base-Base interactions energy: -131.969
where: short stacking energy: -73.410
Base-Backbone interact. energy: -0.376
local terms energy: -109.247329
where:
bonds (distance) C4'-P energy: -26.742
bonds (distance) P-C4' energy: -29.865
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -175.075953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.075953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.075953 (E_RNA)
where:
Base-Base interactions energy: -70.367
where: short stacking energy: -70.367
Base-Backbone interact. energy: -0.127
local terms energy: -104.582035
where:
bonds (distance) C4'-P energy: -25.238
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -18.140
tors. eta vs tors. theta energy: -12.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -147.466430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.466430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.466430 (E_RNA)
where:
Base-Base interactions energy: -55.875
where: short stacking energy: -46.722
Base-Backbone interact. energy: -0.798
local terms energy: -90.792899
where:
bonds (distance) C4'-P energy: -29.730
bonds (distance) P-C4' energy: -26.255
flat angles C4'-P-C4' energy: -25.653
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -2.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -174.100333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.100333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.100333 (E_RNA)
where:
Base-Base interactions energy: -68.302
where: short stacking energy: -67.194
Base-Backbone interact. energy: 1.898
local terms energy: -107.695999
where:
bonds (distance) C4'-P energy: -28.321
bonds (distance) P-C4' energy: -26.325
flat angles C4'-P-C4' energy: -21.571
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -22.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -127.610264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.610264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.610264 (E_RNA)
where:
Base-Base interactions energy: -49.574
where: short stacking energy: -44.928
Base-Backbone interact. energy: 0.331
local terms energy: -78.366486
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -26.380
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -13.219
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: 10, replica: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -144.039783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.039783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.039783 (E_RNA)
where:
Base-Base interactions energy: -65.887
where: short stacking energy: -35.896
Base-Backbone interact. energy: -0.488
local terms energy: -77.664840
where:
bonds (distance) C4'-P energy: -24.854
bonds (distance) P-C4' energy: -24.951
flat angles C4'-P-C4' energy: -27.496
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: 5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -403.116331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.116331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.116331 (E_RNA)
where:
Base-Base interactions energy: -269.130
where: short stacking energy: -126.248
Base-Backbone interact. energy: -0.498
local terms energy: -133.488529
where:
bonds (distance) C4'-P energy: -26.608
bonds (distance) P-C4' energy: -28.261
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -18.821
tors. eta vs tors. theta energy: -36.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -362.002744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.002744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.002744 (E_RNA)
where:
Base-Base interactions energy: -220.755
where: short stacking energy: -126.087
Base-Backbone interact. energy: -0.425
local terms energy: -140.822674
where:
bonds (distance) C4'-P energy: -26.920
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -28.618
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -35.867
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: 10
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -330.792991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.792991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.792991 (E_RNA)
where:
Base-Base interactions energy: -205.564
where: short stacking energy: -113.731
Base-Backbone interact. energy: -0.126
local terms energy: -125.102490
where:
bonds (distance) C4'-P energy: -26.373
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -24.710
flat angles P-C4'-P energy: -20.264
tors. eta vs tors. theta energy: -30.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -289.741890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.741890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.741890 (E_RNA)
where:
Base-Base interactions energy: -169.204
where: short stacking energy: -108.367
Base-Backbone interact. energy: -1.219
local terms energy: -119.318957
where:
bonds (distance) C4'-P energy: -25.307
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -25.660
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -28.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -232.377532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.377532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.377532 (E_RNA)
where:
Base-Base interactions energy: -133.772
where: short stacking energy: -88.975
Base-Backbone interact. energy: -0.981
local terms energy: -97.624734
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -23.633
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -179.132322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.132322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.132322 (E_RNA)
where:
Base-Base interactions energy: -85.639
where: short stacking energy: -67.015
Base-Backbone interact. energy: -1.133
local terms energy: -92.360237
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -24.735
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -8.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -138.238943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.238943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.238943 (E_RNA)
where:
Base-Base interactions energy: -53.177
where: short stacking energy: -51.666
Base-Backbone interact. energy: -1.057
local terms energy: -84.005198
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -20.212
flat angles P-C4'-P energy: -14.285
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: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -151.724253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.724253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.724253 (E_RNA)
where:
Base-Base interactions energy: -61.204
where: short stacking energy: -43.344
Base-Backbone interact. energy: -0.049
local terms energy: -90.471370
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -29.349
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: 0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -140.209785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.209785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.209785 (E_RNA)
where:
Base-Base interactions energy: -51.933
where: short stacking energy: -41.474
Base-Backbone interact. energy: -0.574
local terms energy: -87.703509
where:
bonds (distance) C4'-P energy: -25.651
bonds (distance) P-C4' energy: -27.437
flat angles C4'-P-C4' energy: -11.776
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -2.437
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: 13
Temperature: 1.350000
Total energy: -141.455875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.455875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.455875 (E_RNA)
where:
Base-Base interactions energy: -56.305
where: short stacking energy: -51.642
Base-Backbone interact. energy: -0.589
local terms energy: -84.562288
where:
bonds (distance) C4'-P energy: -19.740
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -25.453
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -397.859805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.859805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.859805 (E_RNA)
where:
Base-Base interactions energy: -253.425
where: short stacking energy: -124.513
Base-Backbone interact. energy: -0.742
local terms energy: -143.693539
where:
bonds (distance) C4'-P energy: -25.341
bonds (distance) P-C4' energy: -28.983
flat angles C4'-P-C4' energy: -30.554
flat angles P-C4'-P energy: -20.846
tors. eta vs tors. theta energy: -37.969
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: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -385.054202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.054202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.054202 (E_RNA)
where:
Base-Base interactions energy: -249.668
where: short stacking energy: -123.036
Base-Backbone interact. energy: -0.158
local terms energy: -135.228224
where:
bonds (distance) C4'-P energy: -25.030
bonds (distance) P-C4' energy: -28.075
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -18.237
tors. eta vs tors. theta energy: -36.793
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: 10
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -327.133506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.133506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.133506 (E_RNA)
where:
Base-Base interactions energy: -198.369
where: short stacking energy: -106.236
Base-Backbone interact. energy: -0.306
local terms energy: -128.459232
where:
bonds (distance) C4'-P energy: -22.524
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -29.753
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -26.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -274.343127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.343127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.343127 (E_RNA)
where:
Base-Base interactions energy: -159.470
where: short stacking energy: -109.412
Base-Backbone interact. energy: -1.205
local terms energy: -113.667762
where:
bonds (distance) C4'-P energy: -29.162
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: -27.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -186.105176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.105176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.105176 (E_RNA)
where:
Base-Base interactions energy: -84.249
where: short stacking energy: -76.109
Base-Backbone interact. energy: -0.174
local terms energy: -101.682459
where:
bonds (distance) C4'-P energy: -22.186
bonds (distance) P-C4' energy: -27.373
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -230.484897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.484897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.484897 (E_RNA)
where:
Base-Base interactions energy: -149.236
where: short stacking energy: -70.253
Base-Backbone interact. energy: -0.747
local terms energy: -80.502138
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -19.660
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -177.815344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.815344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.815344 (E_RNA)
where:
Base-Base interactions energy: -83.493
where: short stacking energy: -73.438
Base-Backbone interact. energy: -0.258
local terms energy: -94.064700
where:
bonds (distance) C4'-P energy: -23.148
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -17.654
tors. eta vs tors. theta energy: -13.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -139.176053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.176053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.176053 (E_RNA)
where:
Base-Base interactions energy: -43.238
where: short stacking energy: -36.963
Base-Backbone interact. energy: -0.296
local terms energy: -95.641635
where:
bonds (distance) C4'-P energy: -24.104
bonds (distance) P-C4' energy: -28.913
flat angles C4'-P-C4' energy: -25.373
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -2.283
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: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -132.684758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.684758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.684758 (E_RNA)
where:
Base-Base interactions energy: -53.366
where: short stacking energy: -40.313
Base-Backbone interact. energy: -0.238
local terms energy: -79.081200
where:
bonds (distance) C4'-P energy: -25.556
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: 2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -127.504467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.504467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.504467 (E_RNA)
where:
Base-Base interactions energy: -40.454
where: short stacking energy: -40.454
Base-Backbone interact. energy: -0.136
local terms energy: -86.914932
where:
bonds (distance) C4'-P energy: -24.091
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -21.222
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -404.822685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.822685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.822685 (E_RNA)
where:
Base-Base interactions energy: -262.803
where: short stacking energy: -133.627
Base-Backbone interact. energy: -0.763
local terms energy: -141.256258
where:
bonds (distance) C4'-P energy: -22.316
bonds (distance) P-C4' energy: -23.995
flat angles C4'-P-C4' energy: -31.005
flat angles P-C4'-P energy: -23.872
tors. eta vs tors. theta energy: -40.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -392.085400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.085400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.085400 (E_RNA)
where:
Base-Base interactions energy: -245.635
where: short stacking energy: -121.064
Base-Backbone interact. energy: -1.097
local terms energy: -145.352639
where:
bonds (distance) C4'-P energy: -30.377
bonds (distance) P-C4' energy: -31.035
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -17.128
tors. eta vs tors. theta energy: -36.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -322.914793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.914793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.914793 (E_RNA)
where:
Base-Base interactions energy: -196.791
where: short stacking energy: -94.131
Base-Backbone interact. energy: -0.455
local terms energy: -125.668521
where:
bonds (distance) C4'-P energy: -30.146
bonds (distance) P-C4' energy: -22.037
flat angles C4'-P-C4' energy: -27.619
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: -25.686
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: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -270.707372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.707372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.707372 (E_RNA)
where:
Base-Base interactions energy: -144.986
where: short stacking energy: -84.553
Base-Backbone interact. energy: -0.282
local terms energy: -125.438803
where:
bonds (distance) C4'-P energy: -26.140
bonds (distance) P-C4' energy: -31.325
flat angles C4'-P-C4' energy: -25.818
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -23.973
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: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -214.075382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.075382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.075382 (E_RNA)
where:
Base-Base interactions energy: -116.054
where: short stacking energy: -75.554
Base-Backbone interact. energy: 0.853
local terms energy: -98.875022
where:
bonds (distance) C4'-P energy: -19.529
bonds (distance) P-C4' energy: -24.783
flat angles C4'-P-C4' energy: -24.378
flat angles P-C4'-P energy: -19.761
tors. eta vs tors. theta energy: -10.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -219.382652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.382652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.382652 (E_RNA)
where:
Base-Base interactions energy: -123.489
where: short stacking energy: -82.935
Base-Backbone interact. energy: 0.521
local terms energy: -96.414429
where:
bonds (distance) C4'-P energy: -24.596
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -181.455555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.455555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.455555 (E_RNA)
where:
Base-Base interactions energy: -97.880
where: short stacking energy: -77.645
Base-Backbone interact. energy: -0.308
local terms energy: -83.267596
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -8.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -142.996901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.996901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.996901 (E_RNA)
where:
Base-Base interactions energy: -64.798
where: short stacking energy: -51.376
Base-Backbone interact. energy: 1.350
local terms energy: -79.549150
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -135.794966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.794966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.794966 (E_RNA)
where:
Base-Base interactions energy: -55.009
where: short stacking energy: -41.582
Base-Backbone interact. energy: -1.241
local terms energy: -79.545678
where:
bonds (distance) C4'-P energy: -22.670
bonds (distance) P-C4' energy: -26.496
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -12.464
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: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -130.687191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.687191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.687191 (E_RNA)
where:
Base-Base interactions energy: -44.036
where: short stacking energy: -37.223
Base-Backbone interact. energy: -0.350
local terms energy: -86.300676
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -10.099
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: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -414.032938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.032938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.032938 (E_RNA)
where:
Base-Base interactions energy: -277.648
where: short stacking energy: -137.160
Base-Backbone interact. energy: -1.543
local terms energy: -134.842215
where:
bonds (distance) C4'-P energy: -24.322
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -30.103
flat angles P-C4'-P energy: -24.129
tors. eta vs tors. theta energy: -38.719
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: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -406.239797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.239797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.239797 (E_RNA)
where:
Base-Base interactions energy: -268.291
where: short stacking energy: -133.297
Base-Backbone interact. energy: -0.869
local terms energy: -137.080774
where:
bonds (distance) C4'-P energy: -25.198
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -31.107
flat angles P-C4'-P energy: -20.840
tors. eta vs tors. theta energy: -39.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -293.806196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.806196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.806196 (E_RNA)
where:
Base-Base interactions energy: -170.096
where: short stacking energy: -112.629
Base-Backbone interact. energy: -0.349
local terms energy: -123.360456
where:
bonds (distance) C4'-P energy: -21.952
bonds (distance) P-C4' energy: -30.596
flat angles C4'-P-C4' energy: -25.705
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -25.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -288.234173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.234173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.234173 (E_RNA)
where:
Base-Base interactions energy: -173.231
where: short stacking energy: -81.869
Base-Backbone interact. energy: -1.848
local terms energy: -113.155437
where:
bonds (distance) C4'-P energy: -26.140
bonds (distance) P-C4' energy: -23.299
flat angles C4'-P-C4' energy: -25.912
flat angles P-C4'-P energy: -20.379
tors. eta vs tors. theta energy: -17.426
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: 5, replica: 2
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -220.358351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.358351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.358351 (E_RNA)
where:
Base-Base interactions energy: -116.426
where: short stacking energy: -88.535
Base-Backbone interact. energy: 0.054
local terms energy: -103.986493
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -211.746840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.746840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.746840 (E_RNA)
where:
Base-Base interactions energy: -103.283
where: short stacking energy: -79.837
Base-Backbone interact. energy: -1.015
local terms energy: -107.449464
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -24.332
flat angles P-C4'-P energy: -18.960
tors. eta vs tors. theta energy: -21.293
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: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -165.348174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.348174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.348174 (E_RNA)
where:
Base-Base interactions energy: -79.558
where: short stacking energy: -54.235
Base-Backbone interact. energy: -0.574
local terms energy: -85.215320
where:
bonds (distance) C4'-P energy: -20.771
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -18.147
tors. eta vs tors. theta energy: -5.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -148.114130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.114130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.114130 (E_RNA)
where:
Base-Base interactions energy: -57.741
where: short stacking energy: -57.741
Base-Backbone interact. energy: -0.281
local terms energy: -90.091344
where:
bonds (distance) C4'-P energy: -29.514
bonds (distance) P-C4' energy: -24.025
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -5.468
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: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -126.378018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.378018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.378018 (E_RNA)
where:
Base-Base interactions energy: -40.972
where: short stacking energy: -40.461
Base-Backbone interact. energy: -1.436
local terms energy: -83.969618
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -29.025
flat angles C4'-P-C4' energy: -24.339
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: 3.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -135.136752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.136752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.136752 (E_RNA)
where:
Base-Base interactions energy: -50.849
where: short stacking energy: -47.710
Base-Backbone interact. energy: -0.397
local terms energy: -83.891235
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -24.905
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -418.345096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.345096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.345096 (E_RNA)
where:
Base-Base interactions energy: -275.163
where: short stacking energy: -140.451
Base-Backbone interact. energy: -0.062
local terms energy: -143.119884
where:
bonds (distance) C4'-P energy: -25.789
bonds (distance) P-C4' energy: -26.044
flat angles C4'-P-C4' energy: -30.609
flat angles P-C4'-P energy: -20.677
tors. eta vs tors. theta energy: -40.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -403.270269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.270269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.270269 (E_RNA)
where:
Base-Base interactions energy: -269.961
where: short stacking energy: -128.724
Base-Backbone interact. energy: -0.998
local terms energy: -132.311494
where:
bonds (distance) C4'-P energy: -23.859
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -27.846
flat angles P-C4'-P energy: -18.390
tors. eta vs tors. theta energy: -38.048
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: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -309.491698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.491698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.491698 (E_RNA)
where:
Base-Base interactions energy: -190.346
where: short stacking energy: -110.290
Base-Backbone interact. energy: -0.957
local terms energy: -118.188961
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -26.697
flat angles C4'-P-C4' energy: -25.531
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -26.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -320.597392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.597392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.597392 (E_RNA)
where:
Base-Base interactions energy: -198.271
where: short stacking energy: -121.866
Base-Backbone interact. energy: -0.537
local terms energy: -121.789489
where:
bonds (distance) C4'-P energy: -27.034
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -25.814
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: -33.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -236.607968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.607968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.607968 (E_RNA)
where:
Base-Base interactions energy: -131.601
where: short stacking energy: -79.373
Base-Backbone interact. energy: -0.339
local terms energy: -104.667477
where:
bonds (distance) C4'-P energy: -29.557
bonds (distance) P-C4' energy: -27.344
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -11.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -169.320497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.320497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.320497 (E_RNA)
where:
Base-Base interactions energy: -87.061
where: short stacking energy: -68.651
Base-Backbone interact. energy: -0.135
local terms energy: -82.123764
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -24.574
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -11.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -167.909132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.909132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.909132 (E_RNA)
where:
Base-Base interactions energy: -75.217
where: short stacking energy: -58.409
Base-Backbone interact. energy: -0.593
local terms energy: -92.099374
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -24.630
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -6.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -145.225077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.225077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.225077 (E_RNA)
where:
Base-Base interactions energy: -69.780
where: short stacking energy: -68.982
Base-Backbone interact. energy: -0.315
local terms energy: -75.129713
where:
bonds (distance) C4'-P energy: -22.167
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -8.392
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: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -133.123060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.123060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.123060 (E_RNA)
where:
Base-Base interactions energy: -48.280
where: short stacking energy: -45.064
Base-Backbone interact. energy: -0.158
local terms energy: -84.685184
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -19.848
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: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -123.083167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.083167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.083167 (E_RNA)
where:
Base-Base interactions energy: -45.004
where: short stacking energy: -44.683
Base-Backbone interact. energy: -0.216
local terms energy: -77.863304
where:
bonds (distance) C4'-P energy: -21.977
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -410.720846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.720846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.720846 (E_RNA)
where:
Base-Base interactions energy: -266.854
where: short stacking energy: -131.946
Base-Backbone interact. energy: -0.064
local terms energy: -143.802454
where:
bonds (distance) C4'-P energy: -29.208
bonds (distance) P-C4' energy: -28.703
flat angles C4'-P-C4' energy: -27.937
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -40.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -411.779780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.779780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.779780 (E_RNA)
where:
Base-Base interactions energy: -268.777
where: short stacking energy: -135.160
Base-Backbone interact. energy: -0.808
local terms energy: -142.195050
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -28.109
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -21.742
tors. eta vs tors. theta energy: -37.073
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: 18
Temperature: 1.000000
Total energy: -328.189866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.189866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.189866 (E_RNA)
where:
Base-Base interactions energy: -199.976
where: short stacking energy: -117.774
Base-Backbone interact. energy: 0.404
local terms energy: -128.617665
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -26.855
flat angles C4'-P-C4' energy: -28.369
flat angles P-C4'-P energy: -20.655
tors. eta vs tors. theta energy: -29.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -305.960486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.960486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.960486 (E_RNA)
where:
Base-Base interactions energy: -173.002
where: short stacking energy: -95.935
Base-Backbone interact. energy: -1.579
local terms energy: -131.379785
where:
bonds (distance) C4'-P energy: -25.134
bonds (distance) P-C4' energy: -27.494
flat angles C4'-P-C4' energy: -29.884
flat angles P-C4'-P energy: -22.272
tors. eta vs tors. theta energy: -26.596
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: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -264.302203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.302203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.302203 (E_RNA)
where:
Base-Base interactions energy: -157.844
where: short stacking energy: -85.788
Base-Backbone interact. energy: 0.018
local terms energy: -106.476611
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -27.104
flat angles C4'-P-C4' energy: -28.009
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -21.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -165.808890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.808890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.808890 (E_RNA)
where:
Base-Base interactions energy: -65.321
where: short stacking energy: -64.010
Base-Backbone interact. energy: -0.203
local terms energy: -100.284470
where:
bonds (distance) C4'-P energy: -26.451
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -23.258
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -11.400
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: 7, replica: 3
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -168.264441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.264441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.264441 (E_RNA)
where:
Base-Base interactions energy: -90.250
where: short stacking energy: -65.179
Base-Backbone interact. energy: 4.442
local terms energy: -82.456324
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -25.016
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -6.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -147.506032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.506032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.506032 (E_RNA)
where:
Base-Base interactions energy: -49.321
where: short stacking energy: -42.341
Base-Backbone interact. energy: -0.213
local terms energy: -97.971410
where:
bonds (distance) C4'-P energy: -26.367
bonds (distance) P-C4' energy: -28.612
flat angles C4'-P-C4' energy: -24.683
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -7.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -149.883502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.883502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.883502 (E_RNA)
where:
Base-Base interactions energy: -58.657
where: short stacking energy: -50.272
Base-Backbone interact. energy: -0.578
local terms energy: -90.648159
where:
bonds (distance) C4'-P energy: -24.483
bonds (distance) P-C4' energy: -24.251
flat angles C4'-P-C4' energy: -22.931
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -138.063839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.063839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.063839 (E_RNA)
where:
Base-Base interactions energy: -57.311
where: short stacking energy: -40.291
Base-Backbone interact. energy: -0.790
local terms energy: -79.963584
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -5.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -406.466363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.466363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.466363 (E_RNA)
where:
Base-Base interactions energy: -266.229
where: short stacking energy: -125.465
Base-Backbone interact. energy: -0.037
local terms energy: -140.200302
where:
bonds (distance) C4'-P energy: -22.277
bonds (distance) P-C4' energy: -27.268
flat angles C4'-P-C4' energy: -32.934
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -37.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -404.755870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.755870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.755870 (E_RNA)
where:
Base-Base interactions energy: -265.938
where: short stacking energy: -142.431
Base-Backbone interact. energy: -0.433
local terms energy: -138.385086
where:
bonds (distance) C4'-P energy: -27.842
bonds (distance) P-C4' energy: -25.377
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -20.000
tors. eta vs tors. theta energy: -37.300
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: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -336.521731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.521731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.521731 (E_RNA)
where:
Base-Base interactions energy: -210.009
where: short stacking energy: -120.300
Base-Backbone interact. energy: -1.753
local terms energy: -124.760116
where:
bonds (distance) C4'-P energy: -27.245
bonds (distance) P-C4' energy: -24.261
flat angles C4'-P-C4' energy: -26.001
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -33.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -303.073175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.073175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.073175 (E_RNA)
where:
Base-Base interactions energy: -190.485
where: short stacking energy: -108.838
Base-Backbone interact. energy: -1.109
local terms energy: -111.479118
where:
bonds (distance) C4'-P energy: -22.225
bonds (distance) P-C4' energy: -21.100
flat angles C4'-P-C4' energy: -24.662
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -29.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -263.732989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.732989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.732989 (E_RNA)
where:
Base-Base interactions energy: -156.488
where: short stacking energy: -98.720
Base-Backbone interact. energy: -0.019
local terms energy: -107.226385
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -25.503
flat angles C4'-P-C4' energy: -24.696
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -20.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -182.563603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.563603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.563603 (E_RNA)
where:
Base-Base interactions energy: -95.419
where: short stacking energy: -65.824
Base-Backbone interact. energy: -1.741
local terms energy: -85.403130
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -7.666
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: 6
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -143.833785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.833785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.833785 (E_RNA)
where:
Base-Base interactions energy: -63.622
where: short stacking energy: -61.671
Base-Backbone interact. energy: 1.282
local terms energy: -81.494281
where:
bonds (distance) C4'-P energy: -26.442
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -8.952
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: 8, replica: 7
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -143.549639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.549639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.549639 (E_RNA)
where:
Base-Base interactions energy: -60.192
where: short stacking energy: -46.546
Base-Backbone interact. energy: 0.133
local terms energy: -83.489947
where:
bonds (distance) C4'-P energy: -24.494
bonds (distance) P-C4' energy: -26.980
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -129.823906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.823906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.823906 (E_RNA)
where:
Base-Base interactions energy: -53.753
where: short stacking energy: -51.713
Base-Backbone interact. energy: -1.518
local terms energy: -74.552760
where:
bonds (distance) C4'-P energy: -23.491
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: 1.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -130.496430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.496430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.496430 (E_RNA)
where:
Base-Base interactions energy: -51.519
where: short stacking energy: -45.889
Base-Backbone interact. energy: -0.578
local terms energy: -78.400006
where:
bonds (distance) C4'-P energy: -28.096
bonds (distance) P-C4' energy: -24.884
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -1.491
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: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -397.034202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.034202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.034202 (E_RNA)
where:
Base-Base interactions energy: -259.949
where: short stacking energy: -120.491
Base-Backbone interact. energy: -0.032
local terms energy: -137.052659
where:
bonds (distance) C4'-P energy: -24.406
bonds (distance) P-C4' energy: -25.976
flat angles C4'-P-C4' energy: -27.086
flat angles P-C4'-P energy: -22.727
tors. eta vs tors. theta energy: -36.858
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: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -400.684611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.684611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.684611 (E_RNA)
where:
Base-Base interactions energy: -262.597
where: short stacking energy: -132.522
Base-Backbone interact. energy: -0.126
local terms energy: -137.961473
where:
bonds (distance) C4'-P energy: -24.707
bonds (distance) P-C4' energy: -25.828
flat angles C4'-P-C4' energy: -30.438
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -39.998
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: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -342.571032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.571032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.571032 (E_RNA)
where:
Base-Base interactions energy: -214.884
where: short stacking energy: -120.223
Base-Backbone interact. energy: -0.292
local terms energy: -127.394776
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -24.396
flat angles C4'-P-C4' energy: -27.234
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -34.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -309.061054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.061054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.061054 (E_RNA)
where:
Base-Base interactions energy: -187.025
where: short stacking energy: -104.067
Base-Backbone interact. energy: -0.912
local terms energy: -121.123272
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -25.720
flat angles C4'-P-C4' energy: -24.578
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -30.079
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: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -271.275894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.275894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.275894 (E_RNA)
where:
Base-Base interactions energy: -164.585
where: short stacking energy: -88.993
Base-Backbone interact. energy: -0.178
local terms energy: -106.513124
where:
bonds (distance) C4'-P energy: -23.180
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -23.458
flat angles P-C4'-P energy: -20.073
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -172.822385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.822385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.822385 (E_RNA)
where:
Base-Base interactions energy: -76.573
where: short stacking energy: -54.803
Base-Backbone interact. energy: -1.885
local terms energy: -94.363796
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -27.950
flat angles C4'-P-C4' energy: -26.914
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -4.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -151.398829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.398829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.398829 (E_RNA)
where:
Base-Base interactions energy: -66.444
where: short stacking energy: -66.444
Base-Backbone interact. energy: 1.344
local terms energy: -86.298053
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -10.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -165.244981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.244981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.244981 (E_RNA)
where:
Base-Base interactions energy: -75.409
where: short stacking energy: -70.636
Base-Backbone interact. energy: 0.406
local terms energy: -90.242232
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -24.313
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -16.930
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: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -133.374298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.374298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.374298 (E_RNA)
where:
Base-Base interactions energy: -49.203
where: short stacking energy: -43.572
Base-Backbone interact. energy: -0.163
local terms energy: -84.007946
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -26.603
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -19.667
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: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -128.258735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.258735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.258735 (E_RNA)
where:
Base-Base interactions energy: -49.202
where: short stacking energy: -49.202
Base-Backbone interact. energy: -0.309
local terms energy: -78.748150
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -6.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -395.689981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.689981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.689981 (E_RNA)
where:
Base-Base interactions energy: -269.189
where: short stacking energy: -120.300
Base-Backbone interact. energy: -0.296
local terms energy: -126.204133
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -23.678
flat angles C4'-P-C4' energy: -29.017
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -32.968
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: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -392.108265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.108265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.108265 (E_RNA)
where:
Base-Base interactions energy: -264.643
where: short stacking energy: -132.420
Base-Backbone interact. energy: -1.062
local terms energy: -126.403823
where:
bonds (distance) C4'-P energy: -23.010
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -28.238
flat angles P-C4'-P energy: -19.099
tors. eta vs tors. theta energy: -36.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -315.495179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.495179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.495179 (E_RNA)
where:
Base-Base interactions energy: -198.214
where: short stacking energy: -111.565
Base-Backbone interact. energy: -0.503
local terms energy: -116.778434
where:
bonds (distance) C4'-P energy: -26.075
bonds (distance) P-C4' energy: -25.883
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -27.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -302.664518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.664518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.664518 (E_RNA)
where:
Base-Base interactions energy: -181.327
where: short stacking energy: -100.042
Base-Backbone interact. energy: -0.765
local terms energy: -120.572579
where:
bonds (distance) C4'-P energy: -25.341
bonds (distance) P-C4' energy: -25.223
flat angles C4'-P-C4' energy: -28.013
flat angles P-C4'-P energy: -20.218
tors. eta vs tors. theta energy: -21.778
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: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -316.876129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.876129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.876129 (E_RNA)
where:
Base-Base interactions energy: -195.585
where: short stacking energy: -101.177
Base-Backbone interact. energy: -0.857
local terms energy: -120.434423
where:
bonds (distance) C4'-P energy: -27.441
bonds (distance) P-C4' energy: -24.236
flat angles C4'-P-C4' energy: -27.440
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -22.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -187.065980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.065980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.065980 (E_RNA)
where:
Base-Base interactions energy: -83.574
where: short stacking energy: -81.477
Base-Backbone interact. energy: -0.035
local terms energy: -103.456351
where:
bonds (distance) C4'-P energy: -25.756
bonds (distance) P-C4' energy: -27.388
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -13.205
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: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -149.345465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.345465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.345465 (E_RNA)
where:
Base-Base interactions energy: -72.817
where: short stacking energy: -58.623
Base-Backbone interact. energy: -0.403
local terms energy: -76.125841
where:
bonds (distance) C4'-P energy: -19.036
bonds (distance) P-C4' energy: -24.264
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -6.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -158.071023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.071023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.071023 (E_RNA)
where:
Base-Base interactions energy: -70.454
where: short stacking energy: -51.294
Base-Backbone interact. energy: -0.742
local terms energy: -86.875248
where:
bonds (distance) C4'-P energy: -24.766
bonds (distance) P-C4' energy: -22.711
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: -3.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -142.233067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.233067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.233067 (E_RNA)
where:
Base-Base interactions energy: -58.021
where: short stacking energy: -54.994
Base-Backbone interact. energy: -0.227
local terms energy: -83.985441
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -15.550
tors. eta vs tors. theta energy: -8.868
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: 21
Temperature: 1.350000
Total energy: -127.717268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.717268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.717268 (E_RNA)
where:
Base-Base interactions energy: -51.079
where: short stacking energy: -37.167
Base-Backbone interact. energy: -0.125
local terms energy: -76.513250
where:
bonds (distance) C4'-P energy: -27.883
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -24.389
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: 2.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/PROFESSOR-ca34bdee_01
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -401.770060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.770060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.770060 (E_RNA)
where:
Base-Base interactions energy: -263.605
where: short stacking energy: -134.853
Base-Backbone interact. energy: -1.167
local terms energy: -136.997763
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -27.465
flat angles C4'-P-C4' energy: -27.132
flat angles P-C4'-P energy: -20.491
tors. eta vs tors. theta energy: -36.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -403.553201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.553201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.553201 (E_RNA)
where:
Base-Base interactions energy: -268.920
where: short stacking energy: -128.386
Base-Backbone interact. energy: -0.622
local terms energy: -134.011495
where:
bonds (distance) C4'-P energy: -22.088
bonds (distance) P-C4' energy: -27.154
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -37.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -329.578068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.578068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.578068 (E_RNA)
where:
Base-Base interactions energy: -197.259
where: short stacking energy: -114.403
Base-Backbone interact. energy: -2.053
local terms energy: -130.265409
where:
bonds (distance) C4'-P energy: -26.717
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -18.128
tors. eta vs tors. theta energy: -38.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -289.663114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.663114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.663114 (E_RNA)
where:
Base-Base interactions energy: -176.810
where: short stacking energy: -101.683
Base-Backbone interact. energy: -2.096
local terms energy: -110.756797
where:
bonds (distance) C4'-P energy: -19.603
bonds (distance) P-C4' energy: -24.838
flat angles C4'-P-C4' energy: -26.722
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -25.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -301.508695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.508695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.508695 (E_RNA)
where:
Base-Base interactions energy: -181.593
where: short stacking energy: -105.880
Base-Backbone interact. energy: -0.116
local terms energy: -119.800182
where:
bonds (distance) C4'-P energy: -23.556
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -27.460
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -31.987
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: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -229.854539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.854539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.854539 (E_RNA)
where:
Base-Base interactions energy: -118.336
where: short stacking energy: -87.514
Base-Backbone interact. energy: -0.665
local terms energy: -110.853674
where:
bonds (distance) C4'-P energy: -27.202
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -23.965
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -22.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -171.681189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.681189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.681189 (E_RNA)
where:
Base-Base interactions energy: -80.410
where: short stacking energy: -64.545
Base-Backbone interact. energy: -0.353
local terms energy: -90.917904
where:
bonds (distance) C4'-P energy: -29.870
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -18.568
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -9.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -161.923991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.923991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.923991 (E_RNA)
where:
Base-Base interactions energy: -60.487
where: short stacking energy: -59.812
Base-Backbone interact. energy: -0.088
local terms energy: -101.349874
where:
bonds (distance) C4'-P energy: -29.259
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -22.049
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -10.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -144.002039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.002039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.002039 (E_RNA)
where:
Base-Base interactions energy: -46.441
where: short stacking energy: -44.838
Base-Backbone interact. energy: 0.033
local terms energy: -97.593478
where:
bonds (distance) C4'-P energy: -25.817
bonds (distance) P-C4' energy: -27.515
flat angles C4'-P-C4' energy: -24.422
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -7.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -125.419683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.419683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.419683 (E_RNA)
where:
Base-Base interactions energy: -46.789
where: short stacking energy: -45.370
Base-Backbone interact. energy: 0.186
local terms energy: -78.817178
where:
bonds (distance) C4'-P energy: -25.142
bonds (distance) P-C4' energy: -27.039
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -11.411
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -402.797900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.797900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.797900 (E_RNA)
where:
Base-Base interactions energy: -269.113
where: short stacking energy: -126.961
Base-Backbone interact. energy: -0.052
local terms energy: -133.632433
where:
bonds (distance) C4'-P energy: -24.378
bonds (distance) P-C4' energy: -26.451
flat angles C4'-P-C4' energy: -29.367
flat angles P-C4'-P energy: -21.137
tors. eta vs tors. theta energy: -32.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -405.036741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.036741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.036741 (E_RNA)
where:
Base-Base interactions energy: -256.387
where: short stacking energy: -141.356
Base-Backbone interact. energy: -0.097
local terms energy: -148.552448
where:
bonds (distance) C4'-P energy: -25.677
bonds (distance) P-C4' energy: -28.030
flat angles C4'-P-C4' energy: -29.899
flat angles P-C4'-P energy: -25.870
tors. eta vs tors. theta energy: -39.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -317.248968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.248968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.248968 (E_RNA)
where:
Base-Base interactions energy: -192.297
where: short stacking energy: -113.550
Base-Backbone interact. energy: -0.989
local terms energy: -123.962766
where:
bonds (distance) C4'-P energy: -25.959
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -19.188
tors. eta vs tors. theta energy: -30.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -317.866048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.866048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.866048 (E_RNA)
where:
Base-Base interactions energy: -198.591
where: short stacking energy: -107.592
Base-Backbone interact. energy: 1.346
local terms energy: -120.620894
where:
bonds (distance) C4'-P energy: -25.014
bonds (distance) P-C4' energy: -23.096
flat angles C4'-P-C4' energy: -25.161
flat angles P-C4'-P energy: -20.667
tors. eta vs tors. theta energy: -26.683
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: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -289.577521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.577521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.577521 (E_RNA)
where:
Base-Base interactions energy: -175.652
where: short stacking energy: -100.693
Base-Backbone interact. energy: -0.182
local terms energy: -113.743397
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -26.294
flat angles C4'-P-C4' energy: -26.787
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -24.385
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: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -246.331924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.331924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.331924 (E_RNA)
where:
Base-Base interactions energy: -141.804
where: short stacking energy: -85.117
Base-Backbone interact. energy: -0.391
local terms energy: -104.136556
where:
bonds (distance) C4'-P energy: -20.266
bonds (distance) P-C4' energy: -23.900
flat angles C4'-P-C4' energy: -24.417
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -200.806534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.806534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.806534 (E_RNA)
where:
Base-Base interactions energy: -102.182
where: short stacking energy: -83.542
Base-Backbone interact. energy: -0.360
local terms energy: -98.264768
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -24.732
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -23.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -141.369448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.369448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.369448 (E_RNA)
where:
Base-Base interactions energy: -70.035
where: short stacking energy: -64.673
Base-Backbone interact. energy: 2.684
local terms energy: -74.018621
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -10.593
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: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -133.166531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.166531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.166531 (E_RNA)
where:
Base-Base interactions energy: -55.418
where: short stacking energy: -41.624
Base-Backbone interact. energy: -0.661
local terms energy: -77.087331
where:
bonds (distance) C4'-P energy: -21.069
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -131.049879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.049879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.049879 (E_RNA)
where:
Base-Base interactions energy: -58.787
where: short stacking energy: -54.806
Base-Backbone interact. energy: 0.188
local terms energy: -72.450666
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -6.873
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -410.048268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.048268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.048268 (E_RNA)
where:
Base-Base interactions energy: -269.946
where: short stacking energy: -133.567
Base-Backbone interact. energy: -1.083
local terms energy: -139.019421
where:
bonds (distance) C4'-P energy: -26.529
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -28.626
flat angles P-C4'-P energy: -21.485
tors. eta vs tors. theta energy: -35.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -405.375456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.375456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.375456 (E_RNA)
where:
Base-Base interactions energy: -259.725
where: short stacking energy: -134.758
Base-Backbone interact. energy: -1.970
local terms energy: -143.680759
where:
bonds (distance) C4'-P energy: -27.114
bonds (distance) P-C4' energy: -23.319
flat angles C4'-P-C4' energy: -29.299
flat angles P-C4'-P energy: -22.541
tors. eta vs tors. theta energy: -41.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -343.249934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.249934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.249934 (E_RNA)
where:
Base-Base interactions energy: -222.664
where: short stacking energy: -119.736
Base-Backbone interact. energy: -0.189
local terms energy: -120.396993
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -27.176
flat angles C4'-P-C4' energy: -25.845
flat angles P-C4'-P energy: -16.069
tors. eta vs tors. theta energy: -31.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -316.995601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.995601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.995601 (E_RNA)
where:
Base-Base interactions energy: -196.910
where: short stacking energy: -111.557
Base-Backbone interact. energy: 1.131
local terms energy: -121.216684
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -25.847
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -24.199
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: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -291.087618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.087618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.087618 (E_RNA)
where:
Base-Base interactions energy: -163.283
where: short stacking energy: -84.978
Base-Backbone interact. energy: -1.027
local terms energy: -126.777299
where:
bonds (distance) C4'-P energy: -23.931
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -21.519
tors. eta vs tors. theta energy: -26.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -268.740267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.740267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.740267 (E_RNA)
where:
Base-Base interactions energy: -166.558
where: short stacking energy: -89.400
Base-Backbone interact. energy: -0.469
local terms energy: -101.713652
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -27.994
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -20.537
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: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -195.344832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.344832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.344832 (E_RNA)
where:
Base-Base interactions energy: -107.670
where: short stacking energy: -58.943
Base-Backbone interact. energy: -0.529
local terms energy: -87.145915
where:
bonds (distance) C4'-P energy: -21.101
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -146.226047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.226047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.226047 (E_RNA)
where:
Base-Base interactions energy: -48.003
where: short stacking energy: -46.814
Base-Backbone interact. energy: -0.865
local terms energy: -97.358064
where:
bonds (distance) C4'-P energy: -24.719
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -19.832
tors. eta vs tors. theta energy: -10.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -139.459474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.459474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.459474 (E_RNA)
where:
Base-Base interactions energy: -56.636
where: short stacking energy: -56.636
Base-Backbone interact. energy: -0.608
local terms energy: -82.215583
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -7.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -123.957287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.957287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.957287 (E_RNA)
where:
Base-Base interactions energy: -58.507
where: short stacking energy: -42.343
Base-Backbone interact. energy: 0.091
local terms energy: -65.541345
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -13.122
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -415.409787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.409787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.409787 (E_RNA)
where:
Base-Base interactions energy: -280.510
where: short stacking energy: -132.060
Base-Backbone interact. energy: -0.237
local terms energy: -134.662678
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -27.483
flat angles C4'-P-C4' energy: -28.240
flat angles P-C4'-P energy: -20.378
tors. eta vs tors. theta energy: -34.926
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: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -405.234856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.234856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.234856 (E_RNA)
where:
Base-Base interactions energy: -258.396
where: short stacking energy: -144.298
Base-Backbone interact. energy: -0.081
local terms energy: -146.757988
where:
bonds (distance) C4'-P energy: -23.726
bonds (distance) P-C4' energy: -28.111
flat angles C4'-P-C4' energy: -31.255
flat angles P-C4'-P energy: -21.477
tors. eta vs tors. theta energy: -42.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -347.979282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.979282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.979282 (E_RNA)
where:
Base-Base interactions energy: -220.031
where: short stacking energy: -118.532
Base-Backbone interact. energy: -0.646
local terms energy: -127.301810
where:
bonds (distance) C4'-P energy: -28.418
bonds (distance) P-C4' energy: -25.860
flat angles C4'-P-C4' energy: -28.088
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -30.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -311.343899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.343899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.343899 (E_RNA)
where:
Base-Base interactions energy: -195.923
where: short stacking energy: -110.517
Base-Backbone interact. energy: -0.802
local terms energy: -114.618660
where:
bonds (distance) C4'-P energy: -25.117
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -18.934
tors. eta vs tors. theta energy: -25.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -287.608803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.608803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.608803 (E_RNA)
where:
Base-Base interactions energy: -178.007
where: short stacking energy: -93.487
Base-Backbone interact. energy: -0.793
local terms energy: -108.809082
where:
bonds (distance) C4'-P energy: -27.148
bonds (distance) P-C4' energy: -22.146
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -21.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -253.205867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.205867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.205867 (E_RNA)
where:
Base-Base interactions energy: -154.216
where: short stacking energy: -90.206
Base-Backbone interact. energy: -0.141
local terms energy: -98.848631
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -25.804
flat angles C4'-P-C4' energy: -25.214
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -14.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -154.725684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.725684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.725684 (E_RNA)
where:
Base-Base interactions energy: -66.883
where: short stacking energy: -55.132
Base-Backbone interact. energy: 1.100
local terms energy: -88.942997
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -22.940
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -136.848324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.848324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.848324 (E_RNA)
where:
Base-Base interactions energy: -63.859
where: short stacking energy: -52.992
Base-Backbone interact. energy: -0.126
local terms energy: -72.863501
where:
bonds (distance) C4'-P energy: -24.631
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: 1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -137.754281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.754281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.754281 (E_RNA)
where:
Base-Base interactions energy: -54.757
where: short stacking energy: -51.898
Base-Backbone interact. energy: -0.505
local terms energy: -82.492863
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -23.550
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -121.190087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.190087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.190087 (E_RNA)
where:
Base-Base interactions energy: -42.800
where: short stacking energy: -37.915
Base-Backbone interact. energy: -0.864
local terms energy: -77.526007
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -26.577
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -10.866
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -402.843365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.843365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.843365 (E_RNA)
where:
Base-Base interactions energy: -261.945
where: short stacking energy: -131.503
Base-Backbone interact. energy: -1.055
local terms energy: -139.843362
where:
bonds (distance) C4'-P energy: -28.458
bonds (distance) P-C4' energy: -26.671
flat angles C4'-P-C4' energy: -30.232
flat angles P-C4'-P energy: -17.238
tors. eta vs tors. theta energy: -37.244
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: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -399.019190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.019190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.019190 (E_RNA)
where:
Base-Base interactions energy: -269.314
where: short stacking energy: -127.008
Base-Backbone interact. energy: -1.343
local terms energy: -128.362186
where:
bonds (distance) C4'-P energy: -25.122
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -27.129
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -33.303
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: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -368.832273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.832273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.832273 (E_RNA)
where:
Base-Base interactions energy: -247.058
where: short stacking energy: -133.166
Base-Backbone interact. energy: -0.598
local terms energy: -121.176205
where:
bonds (distance) C4'-P energy: -23.933
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -26.690
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -31.674
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: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -304.112682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.112682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.112682 (E_RNA)
where:
Base-Base interactions energy: -183.411
where: short stacking energy: -101.747
Base-Backbone interact. energy: 0.250
local terms energy: -120.951620
where:
bonds (distance) C4'-P energy: -25.619
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -28.773
flat angles P-C4'-P energy: -22.094
tors. eta vs tors. theta energy: -24.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -270.657518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.657518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.657518 (E_RNA)
where:
Base-Base interactions energy: -163.020
where: short stacking energy: -100.544
Base-Backbone interact. energy: -0.165
local terms energy: -107.472669
where:
bonds (distance) C4'-P energy: -22.968
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -25.322
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -21.490
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: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -206.666973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.666973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.666973 (E_RNA)
where:
Base-Base interactions energy: -110.615
where: short stacking energy: -61.024
Base-Backbone interact. energy: -0.387
local terms energy: -95.664404
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -26.183
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -8.269
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: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -150.120160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.120160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.120160 (E_RNA)
where:
Base-Base interactions energy: -65.268
where: short stacking energy: -61.753
Base-Backbone interact. energy: 0.214
local terms energy: -85.066937
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -26.644
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -5.057
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: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -163.276012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.276012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.276012 (E_RNA)
where:
Base-Base interactions energy: -68.691
where: short stacking energy: -47.756
Base-Backbone interact. energy: -0.219
local terms energy: -94.366552
where:
bonds (distance) C4'-P energy: -23.805
bonds (distance) P-C4' energy: -31.363
flat angles C4'-P-C4' energy: -19.104
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -130.646418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.646418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.646418 (E_RNA)
where:
Base-Base interactions energy: -55.158
where: short stacking energy: -51.038
Base-Backbone interact. energy: -0.282
local terms energy: -75.206440
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -20.356
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -5.577
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: 26
Temperature: 1.350000
Total energy: -131.078996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.078996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.078996 (E_RNA)
where:
Base-Base interactions energy: -38.655
where: short stacking energy: -30.445
Base-Backbone interact. energy: -0.344
local terms energy: -92.080040
where:
bonds (distance) C4'-P energy: -22.891
bonds (distance) P-C4' energy: -27.045
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: -4.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -409.483716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.483716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.483716 (E_RNA)
where:
Base-Base interactions energy: -258.736
where: short stacking energy: -132.738
Base-Backbone interact. energy: -0.507
local terms energy: -150.240443
where:
bonds (distance) C4'-P energy: -27.603
bonds (distance) P-C4' energy: -28.610
flat angles C4'-P-C4' energy: -29.331
flat angles P-C4'-P energy: -23.090
tors. eta vs tors. theta energy: -41.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -408.651161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.651161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.651161 (E_RNA)
where:
Base-Base interactions energy: -267.973
where: short stacking energy: -130.213
Base-Backbone interact. energy: 1.204
local terms energy: -141.881720
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -29.871
flat angles C4'-P-C4' energy: -31.249
flat angles P-C4'-P energy: -24.490
tors. eta vs tors. theta energy: -37.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -343.884578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.884578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.884578 (E_RNA)
where:
Base-Base interactions energy: -226.857
where: short stacking energy: -111.299
Base-Backbone interact. energy: -0.215
local terms energy: -116.813187
where:
bonds (distance) C4'-P energy: -22.270
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -27.701
flat angles P-C4'-P energy: -20.090
tors. eta vs tors. theta energy: -27.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -304.833243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.833243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.833243 (E_RNA)
where:
Base-Base interactions energy: -182.544
where: short stacking energy: -107.566
Base-Backbone interact. energy: -0.893
local terms energy: -121.396048
where:
bonds (distance) C4'-P energy: -21.831
bonds (distance) P-C4' energy: -25.704
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -18.067
tors. eta vs tors. theta energy: -33.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -294.117152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.117152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.117152 (E_RNA)
where:
Base-Base interactions energy: -170.431
where: short stacking energy: -102.422
Base-Backbone interact. energy: -0.049
local terms energy: -123.637475
where:
bonds (distance) C4'-P energy: -23.802
bonds (distance) P-C4' energy: -27.487
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -20.156
tors. eta vs tors. theta energy: -31.307
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: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -216.745536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.745536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.745536 (E_RNA)
where:
Base-Base interactions energy: -118.636
where: short stacking energy: -69.146
Base-Backbone interact. energy: -0.186
local terms energy: -97.924031
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -25.226
flat angles P-C4'-P energy: -15.619
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: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -168.765527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.765527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.765527 (E_RNA)
where:
Base-Base interactions energy: -73.433
where: short stacking energy: -73.433
Base-Backbone interact. energy: -0.236
local terms energy: -95.095639
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -24.869
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -6.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -141.500874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.500874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.500874 (E_RNA)
where:
Base-Base interactions energy: -84.628
where: short stacking energy: -60.008
Base-Backbone interact. energy: -1.116
local terms energy: -55.756941
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -25.647
flat angles C4'-P-C4' energy: -6.109
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: 1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -124.345005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.345005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.345005 (E_RNA)
where:
Base-Base interactions energy: -47.504
where: short stacking energy: -47.504
Base-Backbone interact. energy: -0.126
local terms energy: -76.715136
where:
bonds (distance) C4'-P energy: -23.818
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -14.813
tors. eta vs tors. theta energy: 4.162
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: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -123.387025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.387025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.387025 (E_RNA)
where:
Base-Base interactions energy: -47.837
where: short stacking energy: -46.253
Base-Backbone interact. energy: 0.141
local terms energy: -75.690257
where:
bonds (distance) C4'-P energy: -25.222
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -23.431
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: 1.666
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -425.776989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.776989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.776989 (E_RNA)
where:
Base-Base interactions energy: -287.903
where: short stacking energy: -134.265
Base-Backbone interact. energy: -0.394
local terms energy: -137.479961
where:
bonds (distance) C4'-P energy: -24.044
bonds (distance) P-C4' energy: -27.452
flat angles C4'-P-C4' energy: -27.761
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -38.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -400.023784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.023784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.023784 (E_RNA)
where:
Base-Base interactions energy: -269.038
where: short stacking energy: -138.272
Base-Backbone interact. energy: -0.028
local terms energy: -130.957634
where:
bonds (distance) C4'-P energy: -25.236
bonds (distance) P-C4' energy: -25.492
flat angles C4'-P-C4' energy: -28.597
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -36.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -368.048897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.048897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.048897 (E_RNA)
where:
Base-Base interactions energy: -233.458
where: short stacking energy: -113.120
Base-Backbone interact. energy: -0.501
local terms energy: -134.090453
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -27.858
flat angles C4'-P-C4' energy: -31.141
flat angles P-C4'-P energy: -21.469
tors. eta vs tors. theta energy: -36.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -286.916069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.916069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.916069 (E_RNA)
where:
Base-Base interactions energy: -172.463
where: short stacking energy: -104.793
Base-Backbone interact. energy: 0.420
local terms energy: -114.873588
where:
bonds (distance) C4'-P energy: -24.475
bonds (distance) P-C4' energy: -23.944
flat angles C4'-P-C4' energy: -23.400
flat angles P-C4'-P energy: -15.801
tors. eta vs tors. theta energy: -27.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -276.357031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.357031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.357031 (E_RNA)
where:
Base-Base interactions energy: -163.126
where: short stacking energy: -83.186
Base-Backbone interact. energy: -0.209
local terms energy: -113.021695
where:
bonds (distance) C4'-P energy: -26.602
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -27.957
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -22.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -219.495777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.495777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.495777 (E_RNA)
where:
Base-Base interactions energy: -110.943
where: short stacking energy: -67.624
Base-Backbone interact. energy: -0.374
local terms energy: -108.178609
where:
bonds (distance) C4'-P energy: -26.108
bonds (distance) P-C4' energy: -23.652
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -21.946
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: 7, replica: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -151.004993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.004993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.004993 (E_RNA)
where:
Base-Base interactions energy: -58.520
where: short stacking energy: -50.465
Base-Backbone interact. energy: -0.426
local terms energy: -92.058158
where:
bonds (distance) C4'-P energy: -27.557
bonds (distance) P-C4' energy: -27.847
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -9.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -157.924582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.924582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.924582 (E_RNA)
where:
Base-Base interactions energy: -64.873
where: short stacking energy: -58.018
Base-Backbone interact. energy: 1.498
local terms energy: -94.549365
where:
bonds (distance) C4'-P energy: -24.707
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -25.563
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -127.777070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.777070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.777070 (E_RNA)
where:
Base-Base interactions energy: -42.133
where: short stacking energy: -41.828
Base-Backbone interact. energy: -0.354
local terms energy: -85.289252
where:
bonds (distance) C4'-P energy: -24.200
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -17.495
tors. eta vs tors. theta energy: -9.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -132.400421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.400421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.400421 (E_RNA)
where:
Base-Base interactions energy: -52.559
where: short stacking energy: -49.503
Base-Backbone interact. energy: -0.407
local terms energy: -79.434917
where:
bonds (distance) C4'-P energy: -22.680
bonds (distance) P-C4' energy: -21.357
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -6.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -420.700081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.700081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.700081 (E_RNA)
where:
Base-Base interactions energy: -278.302
where: short stacking energy: -128.632
Base-Backbone interact. energy: -0.984
local terms energy: -141.413769
where:
bonds (distance) C4'-P energy: -26.364
bonds (distance) P-C4' energy: -29.228
flat angles C4'-P-C4' energy: -31.537
flat angles P-C4'-P energy: -16.503
tors. eta vs tors. theta energy: -37.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -407.537329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.537329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.537329 (E_RNA)
where:
Base-Base interactions energy: -263.139
where: short stacking energy: -130.183
Base-Backbone interact. energy: -2.295
local terms energy: -142.102354
where:
bonds (distance) C4'-P energy: -27.266
bonds (distance) P-C4' energy: -28.198
flat angles C4'-P-C4' energy: -27.167
flat angles P-C4'-P energy: -23.234
tors. eta vs tors. theta energy: -36.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -354.713602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.713602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.713602 (E_RNA)
where:
Base-Base interactions energy: -222.641
where: short stacking energy: -124.075
Base-Backbone interact. energy: -0.992
local terms energy: -131.081189
where:
bonds (distance) C4'-P energy: -26.360
bonds (distance) P-C4' energy: -27.980
flat angles C4'-P-C4' energy: -22.437
flat angles P-C4'-P energy: -19.425
tors. eta vs tors. theta energy: -34.880
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: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -282.022921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.022921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.022921 (E_RNA)
where:
Base-Base interactions energy: -161.904
where: short stacking energy: -100.219
Base-Backbone interact. energy: -0.791
local terms energy: -119.327956
where:
bonds (distance) C4'-P energy: -21.471
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -24.482
flat angles P-C4'-P energy: -22.611
tors. eta vs tors. theta energy: -22.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -287.941083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.941083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.941083 (E_RNA)
where:
Base-Base interactions energy: -169.992
where: short stacking energy: -87.835
Base-Backbone interact. energy: -1.906
local terms energy: -116.043785
where:
bonds (distance) C4'-P energy: -27.288
bonds (distance) P-C4' energy: -26.993
flat angles C4'-P-C4' energy: -27.670
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -25.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -171.932137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.932137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.932137 (E_RNA)
where:
Base-Base interactions energy: -76.356
where: short stacking energy: -74.831
Base-Backbone interact. energy: -0.129
local terms energy: -95.447337
where:
bonds (distance) C4'-P energy: -22.967
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -22.856
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -152.149190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.149190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.149190 (E_RNA)
where:
Base-Base interactions energy: -57.252
where: short stacking energy: -57.252
Base-Backbone interact. energy: 0.158
local terms energy: -95.055694
where:
bonds (distance) C4'-P energy: -23.677
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -20.667
flat angles P-C4'-P energy: -18.366
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: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -146.902894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.902894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.902894 (E_RNA)
where:
Base-Base interactions energy: -60.364
where: short stacking energy: -59.576
Base-Backbone interact. energy: -0.046
local terms energy: -86.491924
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -20.037
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -8.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -136.454369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.454369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.454369 (E_RNA)
where:
Base-Base interactions energy: -59.069
where: short stacking energy: -57.969
Base-Backbone interact. energy: -0.040
local terms energy: -77.344874
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -16.128
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: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -121.236678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.236678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.236678 (E_RNA)
where:
Base-Base interactions energy: -50.950
where: short stacking energy: -44.324
Base-Backbone interact. energy: -0.987
local terms energy: -69.299188
where:
bonds (distance) C4'-P energy: -24.906
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -426.874586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.874586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.874586 (E_RNA)
where:
Base-Base interactions energy: -286.809
where: short stacking energy: -131.484
Base-Backbone interact. energy: -2.171
local terms energy: -137.893747
where:
bonds (distance) C4'-P energy: -24.198
bonds (distance) P-C4' energy: -28.445
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -19.727
tors. eta vs tors. theta energy: -39.792
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: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -411.148622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.148622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.148622 (E_RNA)
where:
Base-Base interactions energy: -266.580
where: short stacking energy: -140.181
Base-Backbone interact. energy: -2.089
local terms energy: -142.479013
where:
bonds (distance) C4'-P energy: -24.227
bonds (distance) P-C4' energy: -24.947
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -22.627
tors. eta vs tors. theta energy: -41.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -340.564024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.564024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.564024 (E_RNA)
where:
Base-Base interactions energy: -218.074
where: short stacking energy: -113.504
Base-Backbone interact. energy: 1.166
local terms energy: -123.655583
where:
bonds (distance) C4'-P energy: -24.958
bonds (distance) P-C4' energy: -25.011
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: -33.165
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: 7
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -295.570990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.570990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.570990 (E_RNA)
where:
Base-Base interactions energy: -173.317
where: short stacking energy: -107.447
Base-Backbone interact. energy: -0.284
local terms energy: -121.970040
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -28.437
flat angles C4'-P-C4' energy: -25.930
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: -28.231
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: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -308.845723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.845723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.845723 (E_RNA)
where:
Base-Base interactions energy: -189.526
where: short stacking energy: -107.926
Base-Backbone interact. energy: -0.842
local terms energy: -118.477313
where:
bonds (distance) C4'-P energy: -23.658
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -22.890
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -27.087
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: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -166.036050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.036050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.036050 (E_RNA)
where:
Base-Base interactions energy: -70.116
where: short stacking energy: -67.872
Base-Backbone interact. energy: -0.322
local terms energy: -95.598032
where:
bonds (distance) C4'-P energy: -26.434
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -24.504
flat angles P-C4'-P energy: -10.625
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: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -157.351376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.351376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.351376 (E_RNA)
where:
Base-Base interactions energy: -60.635
where: short stacking energy: -59.383
Base-Backbone interact. energy: -1.046
local terms energy: -95.670519
where:
bonds (distance) C4'-P energy: -17.575
bonds (distance) P-C4' energy: -26.892
flat angles C4'-P-C4' energy: -23.091
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -11.147
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: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -158.402389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.402389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.402389 (E_RNA)
where:
Base-Base interactions energy: -68.131
where: short stacking energy: -68.131
Base-Backbone interact. energy: -0.095
local terms energy: -90.176354
where:
bonds (distance) C4'-P energy: -21.574
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -22.782
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -139.732567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.732567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.732567 (E_RNA)
where:
Base-Base interactions energy: -56.892
where: short stacking energy: -50.563
Base-Backbone interact. energy: 1.226
local terms energy: -84.066871
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -28.266
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -132.382170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.382170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.382170 (E_RNA)
where:
Base-Base interactions energy: -61.644
where: short stacking energy: -41.293
Base-Backbone interact. energy: -0.631
local terms energy: -70.106415
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -25.844
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: 2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -419.426126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.426126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.426126 (E_RNA)
where:
Base-Base interactions energy: -284.542
where: short stacking energy: -132.614
Base-Backbone interact. energy: -0.358
local terms energy: -134.525833
where:
bonds (distance) C4'-P energy: -24.854
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -30.733
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -38.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -407.937416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.937416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.937416 (E_RNA)
where:
Base-Base interactions energy: -272.994
where: short stacking energy: -132.918
Base-Backbone interact. energy: 0.119
local terms energy: -135.062283
where:
bonds (distance) C4'-P energy: -26.226
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -23.064
flat angles P-C4'-P energy: -24.157
tors. eta vs tors. theta energy: -40.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -335.917130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.917130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.917130 (E_RNA)
where:
Base-Base interactions energy: -217.437
where: short stacking energy: -108.294
Base-Backbone interact. energy: -0.540
local terms energy: -117.940223
where:
bonds (distance) C4'-P energy: -24.195
bonds (distance) P-C4' energy: -21.956
flat angles C4'-P-C4' energy: -26.596
flat angles P-C4'-P energy: -17.799
tors. eta vs tors. theta energy: -27.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -287.813703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.813703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.813703 (E_RNA)
where:
Base-Base interactions energy: -182.537
where: short stacking energy: -99.743
Base-Backbone interact. energy: -0.089
local terms energy: -105.187737
where:
bonds (distance) C4'-P energy: -22.873
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -27.755
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -23.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -308.295410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.295410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.295410 (E_RNA)
where:
Base-Base interactions energy: -192.286
where: short stacking energy: -113.759
Base-Backbone interact. energy: 0.352
local terms energy: -116.360698
where:
bonds (distance) C4'-P energy: -22.468
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -24.763
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -31.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -154.864779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.864779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.864779 (E_RNA)
where:
Base-Base interactions energy: -62.398
where: short stacking energy: -62.353
Base-Backbone interact. energy: -0.066
local terms energy: -92.400759
where:
bonds (distance) C4'-P energy: -22.294
bonds (distance) P-C4' energy: -28.004
flat angles C4'-P-C4' energy: -23.788
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -6.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -179.331682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.331682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.331682 (E_RNA)
where:
Base-Base interactions energy: -92.525
where: short stacking energy: -74.775
Base-Backbone interact. energy: 0.549
local terms energy: -87.355134
where:
bonds (distance) C4'-P energy: -25.821
bonds (distance) P-C4' energy: -22.935
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -170.643119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.643119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.643119 (E_RNA)
where:
Base-Base interactions energy: -79.719
where: short stacking energy: -60.786
Base-Backbone interact. energy: -0.352
local terms energy: -90.572303
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -22.607
flat angles P-C4'-P energy: -17.873
tors. eta vs tors. theta energy: -8.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -137.212490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.212490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.212490 (E_RNA)
where:
Base-Base interactions energy: -52.279
where: short stacking energy: -45.486
Base-Backbone interact. energy: -0.802
local terms energy: -84.131020
where:
bonds (distance) C4'-P energy: -23.055
bonds (distance) P-C4' energy: -23.069
flat angles C4'-P-C4' energy: -21.067
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -126.707923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.707923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.707923 (E_RNA)
where:
Base-Base interactions energy: -43.302
where: short stacking energy: -43.302
Base-Backbone interact. energy: -0.258
local terms energy: -83.148045
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -26.382
flat angles P-C4'-P energy: -15.469
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -411.636934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.636934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.636934 (E_RNA)
where:
Base-Base interactions energy: -272.911
where: short stacking energy: -140.720
Base-Backbone interact. energy: 0.415
local terms energy: -139.140572
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -31.859
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: -43.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -415.565674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.565674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.565674 (E_RNA)
where:
Base-Base interactions energy: -287.912
where: short stacking energy: -136.899
Base-Backbone interact. energy: -0.016
local terms energy: -127.637374
where:
bonds (distance) C4'-P energy: -27.883
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -29.193
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -37.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -337.808860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.808860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.808860 (E_RNA)
where:
Base-Base interactions energy: -208.437
where: short stacking energy: -117.508
Base-Backbone interact. energy: -0.111
local terms energy: -129.260642
where:
bonds (distance) C4'-P energy: -26.765
bonds (distance) P-C4' energy: -29.057
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -19.696
tors. eta vs tors. theta energy: -33.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -288.691154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.691154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.691154 (E_RNA)
where:
Base-Base interactions energy: -171.494
where: short stacking energy: -117.986
Base-Backbone interact. energy: -0.102
local terms energy: -117.094871
where:
bonds (distance) C4'-P energy: -25.243
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -29.996
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: 32
Temperature: 1.100000
Total energy: -343.197164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.197164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.197164 (E_RNA)
where:
Base-Base interactions energy: -218.670
where: short stacking energy: -114.074
Base-Backbone interact. energy: -0.934
local terms energy: -123.592861
where:
bonds (distance) C4'-P energy: -26.831
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -23.552
flat angles P-C4'-P energy: -21.513
tors. eta vs tors. theta energy: -29.900
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: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -165.109875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.109875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.109875 (E_RNA)
where:
Base-Base interactions energy: -67.388
where: short stacking energy: -65.929
Base-Backbone interact. energy: -0.408
local terms energy: -97.313658
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -28.635
flat angles C4'-P-C4' energy: -26.951
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -165.907628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.907628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.907628 (E_RNA)
where:
Base-Base interactions energy: -85.049
where: short stacking energy: -67.371
Base-Backbone interact. energy: -0.245
local terms energy: -80.612775
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -23.460
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -147.872218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.872218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.872218 (E_RNA)
where:
Base-Base interactions energy: -63.139
where: short stacking energy: -59.383
Base-Backbone interact. energy: 0.373
local terms energy: -85.106031
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -22.964
flat angles C4'-P-C4' energy: -21.845
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -126.092813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.092813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.092813 (E_RNA)
where:
Base-Base interactions energy: -40.153
where: short stacking energy: -37.892
Base-Backbone interact. energy: -0.093
local terms energy: -85.846834
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -28.042
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -127.331759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.331759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.331759 (E_RNA)
where:
Base-Base interactions energy: -50.877
where: short stacking energy: -44.767
Base-Backbone interact. energy: 0.801
local terms energy: -77.256188
where:
bonds (distance) C4'-P energy: -23.554
bonds (distance) P-C4' energy: -24.064
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -9.996
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -415.245366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.245366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.245366 (E_RNA)
where:
Base-Base interactions energy: -272.012
where: short stacking energy: -135.331
Base-Backbone interact. energy: -2.254
local terms energy: -140.979710
where:
bonds (distance) C4'-P energy: -23.007
bonds (distance) P-C4' energy: -28.252
flat angles C4'-P-C4' energy: -29.069
flat angles P-C4'-P energy: -21.914
tors. eta vs tors. theta energy: -38.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -420.239182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.239182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.239182 (E_RNA)
where:
Base-Base interactions energy: -282.047
where: short stacking energy: -133.451
Base-Backbone interact. energy: -0.506
local terms energy: -137.685812
where:
bonds (distance) C4'-P energy: -25.106
bonds (distance) P-C4' energy: -30.848
flat angles C4'-P-C4' energy: -24.823
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: -35.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -360.500703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.500703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.500703 (E_RNA)
where:
Base-Base interactions energy: -231.774
where: short stacking energy: -122.127
Base-Backbone interact. energy: 0.850
local terms energy: -129.576333
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -25.136
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -39.833
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: 4, replica: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -357.385043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.385043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.385043 (E_RNA)
where:
Base-Base interactions energy: -222.287
where: short stacking energy: -111.179
Base-Backbone interact. energy: -0.601
local terms energy: -134.497205
where:
bonds (distance) C4'-P energy: -24.123
bonds (distance) P-C4' energy: -25.065
flat angles C4'-P-C4' energy: -24.164
flat angles P-C4'-P energy: -21.103
tors. eta vs tors. theta energy: -40.042
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: 7
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -291.726873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.726873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.726873 (E_RNA)
where:
Base-Base interactions energy: -179.608
where: short stacking energy: -100.157
Base-Backbone interact. energy: -0.708
local terms energy: -111.411172
where:
bonds (distance) C4'-P energy: -21.525
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -17.869
tors. eta vs tors. theta energy: -27.482
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: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -179.259889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.259889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.259889 (E_RNA)
where:
Base-Base interactions energy: -88.977
where: short stacking energy: -71.046
Base-Backbone interact. energy: -0.243
local terms energy: -90.039237
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -158.594811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.594811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.594811 (E_RNA)
where:
Base-Base interactions energy: -64.533
where: short stacking energy: -59.236
Base-Backbone interact. energy: -0.145
local terms energy: -93.917177
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -27.742
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -9.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -152.414210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.414210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.414210 (E_RNA)
where:
Base-Base interactions energy: -68.291
where: short stacking energy: -63.415
Base-Backbone interact. energy: 2.274
local terms energy: -86.397396
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -27.473
flat angles C4'-P-C4' energy: -19.524
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -10.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -125.116158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.116158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.116158 (E_RNA)
where:
Base-Base interactions energy: -38.213
where: short stacking energy: -38.213
Base-Backbone interact. energy: 0.899
local terms energy: -87.802471
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -23.350
flat angles C4'-P-C4' energy: -23.690
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -130.175677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.175677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.175677 (E_RNA)
where:
Base-Base interactions energy: -47.127
where: short stacking energy: -46.642
Base-Backbone interact. energy: 0.532
local terms energy: -83.580102
where:
bonds (distance) C4'-P energy: -26.109
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -26.198
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -0.927
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -424.008356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.008356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.008356 (E_RNA)
where:
Base-Base interactions energy: -287.334
where: short stacking energy: -135.177
Base-Backbone interact. energy: -0.718
local terms energy: -135.957070
where:
bonds (distance) C4'-P energy: -26.174
bonds (distance) P-C4' energy: -28.390
flat angles C4'-P-C4' energy: -27.400
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -37.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -412.284413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.284413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.284413 (E_RNA)
where:
Base-Base interactions energy: -265.246
where: short stacking energy: -132.677
Base-Backbone interact. energy: -0.674
local terms energy: -146.364715
where:
bonds (distance) C4'-P energy: -27.581
bonds (distance) P-C4' energy: -28.382
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -21.041
tors. eta vs tors. theta energy: -40.447
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: 10
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -359.535972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.535972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.535972 (E_RNA)
where:
Base-Base interactions energy: -230.285
where: short stacking energy: -118.514
Base-Backbone interact. energy: -0.514
local terms energy: -128.736427
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -25.338
flat angles P-C4'-P energy: -23.829
tors. eta vs tors. theta energy: -32.133
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: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -358.368896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.368896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.368896 (E_RNA)
where:
Base-Base interactions energy: -237.926
where: short stacking energy: -119.577
Base-Backbone interact. energy: -0.204
local terms energy: -120.238870
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -24.344
flat angles C4'-P-C4' energy: -26.209
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -31.661
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: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -282.675466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.675466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.675466 (E_RNA)
where:
Base-Base interactions energy: -164.697
where: short stacking energy: -92.982
Base-Backbone interact. energy: 2.300
local terms energy: -120.278901
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -27.138
flat angles C4'-P-C4' energy: -27.816
flat angles P-C4'-P energy: -17.753
tors. eta vs tors. theta energy: -27.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -201.342382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.342382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.342382 (E_RNA)
where:
Base-Base interactions energy: -96.572
where: short stacking energy: -67.533
Base-Backbone interact. energy: -0.309
local terms energy: -104.461370
where:
bonds (distance) C4'-P energy: -24.273
bonds (distance) P-C4' energy: -22.105
flat angles C4'-P-C4' energy: -26.987
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -17.110
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: 3
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -174.056104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.056104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.056104 (E_RNA)
where:
Base-Base interactions energy: -76.432
where: short stacking energy: -54.831
Base-Backbone interact. energy: 0.024
local terms energy: -97.647903
where:
bonds (distance) C4'-P energy: -25.218
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -137.847153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.847153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.847153 (E_RNA)
where:
Base-Base interactions energy: -62.688
where: short stacking energy: -62.025
Base-Backbone interact. energy: 1.023
local terms energy: -76.181654
where:
bonds (distance) C4'-P energy: -30.397
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -147.256947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.256947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.256947 (E_RNA)
where:
Base-Base interactions energy: -55.405
where: short stacking energy: -51.940
Base-Backbone interact. energy: -0.834
local terms energy: -91.018262
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -20.815
flat angles C4'-P-C4' energy: -27.602
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -12.000
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: 5
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -123.350385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.350385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.350385 (E_RNA)
where:
Base-Base interactions energy: -44.870
where: short stacking energy: -43.678
Base-Backbone interact. energy: -0.317
local terms energy: -78.162957
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -24.061
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: 1.096
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -419.291004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.291004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.291004 (E_RNA)
where:
Base-Base interactions energy: -278.962
where: short stacking energy: -132.878
Base-Backbone interact. energy: -2.991
local terms energy: -137.337784
where:
bonds (distance) C4'-P energy: -25.370
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -27.117
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -35.420
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: 2, replica: 10
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -361.028357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.028357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.028357 (E_RNA)
where:
Base-Base interactions energy: -237.039
where: short stacking energy: -115.383
Base-Backbone interact. energy: -0.521
local terms energy: -123.469008
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -24.708
flat angles P-C4'-P energy: -19.735
tors. eta vs tors. theta energy: -30.423
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: 35
Temperature: 1.000000
Total energy: -410.783672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.783672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.783672 (E_RNA)
where:
Base-Base interactions energy: -271.212
where: short stacking energy: -141.545
Base-Backbone interact. energy: -0.015
local terms energy: -139.557192
where:
bonds (distance) C4'-P energy: -27.359
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -29.818
flat angles P-C4'-P energy: -19.825
tors. eta vs tors. theta energy: -42.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -366.843642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.843642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.843642 (E_RNA)
where:
Base-Base interactions energy: -238.780
where: short stacking energy: -125.977
Base-Backbone interact. energy: -0.203
local terms energy: -127.860303
where:
bonds (distance) C4'-P energy: -24.521
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -24.485
flat angles P-C4'-P energy: -22.578
tors. eta vs tors. theta energy: -38.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -261.622355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.622355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.622355 (E_RNA)
where:
Base-Base interactions energy: -153.104
where: short stacking energy: -74.867
Base-Backbone interact. energy: -1.623
local terms energy: -106.895814
where:
bonds (distance) C4'-P energy: -26.498
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -30.153
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -243.584649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.584649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.584649 (E_RNA)
where:
Base-Base interactions energy: -139.367
where: short stacking energy: -88.494
Base-Backbone interact. energy: -0.675
local terms energy: -103.543576
where:
bonds (distance) C4'-P energy: -24.664
bonds (distance) P-C4' energy: -26.376
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -166.953043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.953043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.953043 (E_RNA)
where:
Base-Base interactions energy: -67.686
where: short stacking energy: -53.711
Base-Backbone interact. energy: -0.220
local terms energy: -99.047140
where:
bonds (distance) C4'-P energy: -23.786
bonds (distance) P-C4' energy: -26.396
flat angles C4'-P-C4' energy: -26.524
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -10.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -149.246646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.246646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.246646 (E_RNA)
where:
Base-Base interactions energy: -57.517
where: short stacking energy: -57.517
Base-Backbone interact. energy: -0.129
local terms energy: -91.599847
where:
bonds (distance) C4'-P energy: -24.488
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -142.050552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.050552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.050552 (E_RNA)
where:
Base-Base interactions energy: -50.149
where: short stacking energy: -45.104
Base-Backbone interact. energy: 0.824
local terms energy: -92.725521
where:
bonds (distance) C4'-P energy: -26.177
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -23.437
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -8.168
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: 10, replica: 5
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -139.277450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.277450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.277450 (E_RNA)
where:
Base-Base interactions energy: -53.275
where: short stacking energy: -48.568
Base-Backbone interact. energy: -2.473
local terms energy: -83.529626
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -419.921662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.921662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.921662 (E_RNA)
where:
Base-Base interactions energy: -282.376
where: short stacking energy: -127.229
Base-Backbone interact. energy: 0.689
local terms energy: -138.233954
where:
bonds (distance) C4'-P energy: -23.735
bonds (distance) P-C4' energy: -26.940
flat angles C4'-P-C4' energy: -26.352
flat angles P-C4'-P energy: -23.627
tors. eta vs tors. theta energy: -37.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -361.212120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.212120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.212120 (E_RNA)
where:
Base-Base interactions energy: -233.077
where: short stacking energy: -111.832
Base-Backbone interact. energy: -1.836
local terms energy: -126.299446
where:
bonds (distance) C4'-P energy: -24.256
bonds (distance) P-C4' energy: -27.140
flat angles C4'-P-C4' energy: -26.829
flat angles P-C4'-P energy: -16.765
tors. eta vs tors. theta energy: -31.309
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: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -401.529618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.529618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.529618 (E_RNA)
where:
Base-Base interactions energy: -257.432
where: short stacking energy: -134.162
Base-Backbone interact. energy: -1.734
local terms energy: -142.363048
where:
bonds (distance) C4'-P energy: -26.334
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -28.934
flat angles P-C4'-P energy: -21.989
tors. eta vs tors. theta energy: -42.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -376.418650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.418650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.418650 (E_RNA)
where:
Base-Base interactions energy: -247.228
where: short stacking energy: -130.019
Base-Backbone interact. energy: 1.169
local terms energy: -130.358776
where:
bonds (distance) C4'-P energy: -23.284
bonds (distance) P-C4' energy: -25.586
flat angles C4'-P-C4' energy: -27.119
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -37.007
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: 7
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -271.816361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.816361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.816361 (E_RNA)
where:
Base-Base interactions energy: -162.165
where: short stacking energy: -90.747
Base-Backbone interact. energy: -0.339
local terms energy: -109.312418
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -27.013
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -21.274
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: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -259.413749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.413749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.413749 (E_RNA)
where:
Base-Base interactions energy: -144.930
where: short stacking energy: -81.887
Base-Backbone interact. energy: 3.207
local terms energy: -117.690938
where:
bonds (distance) C4'-P energy: -26.055
bonds (distance) P-C4' energy: -27.927
flat angles C4'-P-C4' energy: -24.374
flat angles P-C4'-P energy: -16.645
tors. eta vs tors. theta energy: -22.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -151.971302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.971302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.971302 (E_RNA)
where:
Base-Base interactions energy: -55.065
where: short stacking energy: -51.862
Base-Backbone interact. energy: -0.086
local terms energy: -96.820144
where:
bonds (distance) C4'-P energy: -23.351
bonds (distance) P-C4' energy: -26.649
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -17.003
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -146.633936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.633936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.633936 (E_RNA)
where:
Base-Base interactions energy: -47.899
where: short stacking energy: -45.588
Base-Backbone interact. energy: -0.371
local terms energy: -98.364026
where:
bonds (distance) C4'-P energy: -26.917
bonds (distance) P-C4' energy: -26.725
flat angles C4'-P-C4' energy: -28.139
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -4.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -138.370252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.370252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.370252 (E_RNA)
where:
Base-Base interactions energy: -52.951
where: short stacking energy: -42.486
Base-Backbone interact. energy: 0.089
local terms energy: -85.507949
where:
bonds (distance) C4'-P energy: -21.625
bonds (distance) P-C4' energy: -25.944
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -1.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -125.895088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.895088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.895088 (E_RNA)
where:
Base-Base interactions energy: -61.249
where: short stacking energy: -54.507
Base-Backbone interact. energy: -0.266
local terms energy: -64.379449
where:
bonds (distance) C4'-P energy: -15.673
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -6.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -393.830370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.830370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.830370 (E_RNA)
where:
Base-Base interactions energy: -256.740
where: short stacking energy: -130.069
Base-Backbone interact. energy: -1.341
local terms energy: -135.748941
where:
bonds (distance) C4'-P energy: -26.659
bonds (distance) P-C4' energy: -28.185
flat angles C4'-P-C4' energy: -30.406
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -40.216
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: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -409.821514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.821514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.821514 (E_RNA)
where:
Base-Base interactions energy: -265.240
where: short stacking energy: -139.876
Base-Backbone interact. energy: -0.428
local terms energy: -144.153182
where:
bonds (distance) C4'-P energy: -23.789
bonds (distance) P-C4' energy: -29.734
flat angles C4'-P-C4' energy: -30.292
flat angles P-C4'-P energy: -18.574
tors. eta vs tors. theta energy: -41.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -374.047273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.047273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.047273 (E_RNA)
where:
Base-Base interactions energy: -242.566
where: short stacking energy: -121.092
Base-Backbone interact. energy: -0.281
local terms energy: -131.200466
where:
bonds (distance) C4'-P energy: -24.547
bonds (distance) P-C4' energy: -25.679
flat angles C4'-P-C4' energy: -27.280
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -35.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -400.719873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.719873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.719873 (E_RNA)
where:
Base-Base interactions energy: -262.237
where: short stacking energy: -132.757
Base-Backbone interact. energy: -0.061
local terms energy: -138.422410
where:
bonds (distance) C4'-P energy: -26.443
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -28.747
flat angles P-C4'-P energy: -18.569
tors. eta vs tors. theta energy: -41.004
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: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -260.153779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.153779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.153779 (E_RNA)
where:
Base-Base interactions energy: -147.716
where: short stacking energy: -82.545
Base-Backbone interact. energy: -0.279
local terms energy: -112.158513
where:
bonds (distance) C4'-P energy: -24.960
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -27.349
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -181.875737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.875737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.875737 (E_RNA)
where:
Base-Base interactions energy: -89.603
where: short stacking energy: -61.998
Base-Backbone interact. energy: -0.289
local terms energy: -91.983188
where:
bonds (distance) C4'-P energy: -22.741
bonds (distance) P-C4' energy: -26.543
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -7.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -192.875345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.875345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.875345 (E_RNA)
where:
Base-Base interactions energy: -109.223
where: short stacking energy: -66.113
Base-Backbone interact. energy: -0.384
local terms energy: -83.268141
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -8.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -140.003604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.003604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.003604 (E_RNA)
where:
Base-Base interactions energy: -51.486
where: short stacking energy: -50.700
Base-Backbone interact. energy: 0.292
local terms energy: -88.809589
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -22.497
flat angles P-C4'-P energy: -17.450
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: 9, replica: 3
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -127.505779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.505779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.505779 (E_RNA)
where:
Base-Base interactions energy: -53.595
where: short stacking energy: -50.555
Base-Backbone interact. energy: 0.030
local terms energy: -73.940149
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -121.238475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.238475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.238475 (E_RNA)
where:
Base-Base interactions energy: -36.331
where: short stacking energy: -34.612
Base-Backbone interact. energy: -0.239
local terms energy: -84.668337
where:
bonds (distance) C4'-P energy: -23.421
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -24.251
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -7.195
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -416.193923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.193923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.193923 (E_RNA)
where:
Base-Base interactions energy: -267.752
where: short stacking energy: -137.357
Base-Backbone interact. energy: -0.036
local terms energy: -148.405669
where:
bonds (distance) C4'-P energy: -29.732
bonds (distance) P-C4' energy: -28.310
flat angles C4'-P-C4' energy: -27.137
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -41.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -391.873234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.873234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.873234 (E_RNA)
where:
Base-Base interactions energy: -257.696
where: short stacking energy: -122.173
Base-Backbone interact. energy: -0.539
local terms energy: -133.638307
where:
bonds (distance) C4'-P energy: -26.701
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -30.817
flat angles P-C4'-P energy: -19.184
tors. eta vs tors. theta energy: -30.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -401.101488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.101488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.101488 (E_RNA)
where:
Base-Base interactions energy: -260.917
where: short stacking energy: -134.685
Base-Backbone interact. energy: -1.616
local terms energy: -138.568122
where:
bonds (distance) C4'-P energy: -26.841
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -28.542
flat angles P-C4'-P energy: -18.250
tors. eta vs tors. theta energy: -41.649
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: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -360.127778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.127778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.127778 (E_RNA)
where:
Base-Base interactions energy: -242.861
where: short stacking energy: -125.012
Base-Backbone interact. energy: -2.825
local terms energy: -114.441562
where:
bonds (distance) C4'-P energy: -20.727
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -26.296
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -29.622
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: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -262.027811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.027811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.027811 (E_RNA)
where:
Base-Base interactions energy: -151.760
where: short stacking energy: -92.838
Base-Backbone interact. energy: -0.771
local terms energy: -109.496131
where:
bonds (distance) C4'-P energy: -21.233
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -25.060
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -24.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -164.587966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.587966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.587966 (E_RNA)
where:
Base-Base interactions energy: -79.692
where: short stacking energy: -54.634
Base-Backbone interact. energy: -0.649
local terms energy: -84.247059
where:
bonds (distance) C4'-P energy: -24.841
bonds (distance) P-C4' energy: -23.995
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -148.603892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.603892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.603892 (E_RNA)
where:
Base-Base interactions energy: -69.240
where: short stacking energy: -65.342
Base-Backbone interact. energy: -0.361
local terms energy: -79.001958
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -26.475
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -157.404118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.404118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.404118 (E_RNA)
where:
Base-Base interactions energy: -64.554
where: short stacking energy: -60.510
Base-Backbone interact. energy: 0.547
local terms energy: -93.397008
where:
bonds (distance) C4'-P energy: -23.355
bonds (distance) P-C4' energy: -26.674
flat angles C4'-P-C4' energy: -22.495
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -8.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -133.580436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.580436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.580436 (E_RNA)
where:
Base-Base interactions energy: -52.045
where: short stacking energy: -45.716
Base-Backbone interact. energy: -0.981
local terms energy: -80.554148
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -17.607
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -130.910843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.910843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.910843 (E_RNA)
where:
Base-Base interactions energy: -56.150
where: short stacking energy: -41.086
Base-Backbone interact. energy: -0.375
local terms energy: -74.385500
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -414.985170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.985170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.985170 (E_RNA)
where:
Base-Base interactions energy: -272.657
where: short stacking energy: -140.409
Base-Backbone interact. energy: -0.372
local terms energy: -141.955713
where:
bonds (distance) C4'-P energy: -21.682
bonds (distance) P-C4' energy: -29.036
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -40.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -403.227573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.227573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.227573 (E_RNA)
where:
Base-Base interactions energy: -269.424
where: short stacking energy: -136.415
Base-Backbone interact. energy: -0.490
local terms energy: -133.313607
where:
bonds (distance) C4'-P energy: -27.457
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -27.589
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -40.080
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: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -390.583557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.583557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.583557 (E_RNA)
where:
Base-Base interactions energy: -265.279
where: short stacking energy: -127.332
Base-Backbone interact. energy: -0.296
local terms energy: -125.008622
where:
bonds (distance) C4'-P energy: -26.162
bonds (distance) P-C4' energy: -26.610
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -33.729
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: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -347.388006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.388006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.388006 (E_RNA)
where:
Base-Base interactions energy: -238.538
where: short stacking energy: -118.669
Base-Backbone interact. energy: 0.556
local terms energy: -109.406763
where:
bonds (distance) C4'-P energy: -21.976
bonds (distance) P-C4' energy: -26.021
flat angles C4'-P-C4' energy: -23.928
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -24.427
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: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -256.006328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.006328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.006328 (E_RNA)
where:
Base-Base interactions energy: -160.529
where: short stacking energy: -93.197
Base-Backbone interact. energy: -1.638
local terms energy: -93.839923
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -22.143
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -21.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -174.001889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.001889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.001889 (E_RNA)
where:
Base-Base interactions energy: -72.784
where: short stacking energy: -61.044
Base-Backbone interact. energy: -0.475
local terms energy: -100.743286
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -24.063
flat angles C4'-P-C4' energy: -22.554
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -11.422
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: 39
Temperature: 1.200000
Total energy: -175.432762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.432762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.432762 (E_RNA)
where:
Base-Base interactions energy: -86.247
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.514
local terms energy: -88.671653
where:
bonds (distance) C4'-P energy: -23.285
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -23.236
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -5.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -145.446844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.446844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.446844 (E_RNA)
where:
Base-Base interactions energy: -72.626
where: short stacking energy: -54.731
Base-Backbone interact. energy: -1.586
local terms energy: -71.235441
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -1.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -138.628650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.628650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.628650 (E_RNA)
where:
Base-Base interactions energy: -53.708
where: short stacking energy: -44.686
Base-Backbone interact. energy: 0.331
local terms energy: -85.250811
where:
bonds (distance) C4'-P energy: -25.582
bonds (distance) P-C4' energy: -26.467
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -6.770
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: 10, replica: 3
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -120.600690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.600690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.600690 (E_RNA)
where:
Base-Base interactions energy: -41.990
where: short stacking energy: -38.180
Base-Backbone interact. energy: -0.476
local terms energy: -78.135226
where:
bonds (distance) C4'-P energy: -24.623
bonds (distance) P-C4' energy: -26.595
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -1.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -423.840655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.840655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.840655 (E_RNA)
where:
Base-Base interactions energy: -275.370
where: short stacking energy: -138.057
Base-Backbone interact. energy: -0.431
local terms energy: -148.039500
where:
bonds (distance) C4'-P energy: -28.633
bonds (distance) P-C4' energy: -30.109
flat angles C4'-P-C4' energy: -26.375
flat angles P-C4'-P energy: -22.146
tors. eta vs tors. theta energy: -40.777
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: 40
Temperature: 0.950000
Total energy: -402.239115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.239115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.239115 (E_RNA)
where:
Base-Base interactions energy: -262.756
where: short stacking energy: -129.712
Base-Backbone interact. energy: -0.685
local terms energy: -138.798341
where:
bonds (distance) C4'-P energy: -23.768
bonds (distance) P-C4' energy: -28.838
flat angles C4'-P-C4' energy: -29.000
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -37.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -392.711311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.711311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.711311 (E_RNA)
where:
Base-Base interactions energy: -263.780
where: short stacking energy: -134.783
Base-Backbone interact. energy: -0.063
local terms energy: -128.868276
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -38.652
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: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -316.360099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.360099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.360099 (E_RNA)
where:
Base-Base interactions energy: -202.384
where: short stacking energy: -118.432
Base-Backbone interact. energy: -0.605
local terms energy: -113.371793
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -18.559
tors. eta vs tors. theta energy: -27.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -283.225182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.225182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.225182 (E_RNA)
where:
Base-Base interactions energy: -165.348
where: short stacking energy: -103.325
Base-Backbone interact. energy: -0.387
local terms energy: -117.490690
where:
bonds (distance) C4'-P energy: -26.003
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -23.744
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -28.969
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: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -169.790669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.790669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.790669 (E_RNA)
where:
Base-Base interactions energy: -82.043
where: short stacking energy: -60.732
Base-Backbone interact. energy: 0.438
local terms energy: -88.185493
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -22.223
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -137.845213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.845213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.845213 (E_RNA)
where:
Base-Base interactions energy: -68.571
where: short stacking energy: -51.960
Base-Backbone interact. energy: -0.895
local terms energy: -68.379403
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -7.040
flat angles C4'-P-C4' energy: -20.151
flat angles P-C4'-P energy: -20.338
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: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -150.261931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.261931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.261931 (E_RNA)
where:
Base-Base interactions energy: -66.622
where: short stacking energy: -55.288
Base-Backbone interact. energy: 2.872
local terms energy: -86.512042
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -27.367
flat angles C4'-P-C4' energy: -24.079
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -4.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -148.357352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.357352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.357352 (E_RNA)
where:
Base-Base interactions energy: -57.573
where: short stacking energy: -49.935
Base-Backbone interact. energy: 1.431
local terms energy: -92.215226
where:
bonds (distance) C4'-P energy: -25.477
bonds (distance) P-C4' energy: -28.006
flat angles C4'-P-C4' energy: -22.889
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -9.152
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: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -129.092855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.092855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.092855 (E_RNA)
where:
Base-Base interactions energy: -57.097
where: short stacking energy: -42.189
Base-Backbone interact. energy: -0.097
local terms energy: -71.899008
where:
bonds (distance) C4'-P energy: -20.170
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: 0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -415.318174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.318174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.318174 (E_RNA)
where:
Base-Base interactions energy: -271.330
where: short stacking energy: -133.859
Base-Backbone interact. energy: -0.413
local terms energy: -143.575489
where:
bonds (distance) C4'-P energy: -31.618
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -29.132
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -40.952
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: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -387.538672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.538672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.538672 (E_RNA)
where:
Base-Base interactions energy: -258.542
where: short stacking energy: -126.494
Base-Backbone interact. energy: -0.044
local terms energy: -128.953353
where:
bonds (distance) C4'-P energy: -27.068
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -28.054
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: -36.624
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: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -385.002291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.002291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.002291 (E_RNA)
where:
Base-Base interactions energy: -252.395
where: short stacking energy: -126.606
Base-Backbone interact. energy: -2.704
local terms energy: -129.903755
where:
bonds (distance) C4'-P energy: -23.722
bonds (distance) P-C4' energy: -24.482
flat angles C4'-P-C4' energy: -30.486
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -34.501
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: 10
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -296.508859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.508859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.508859 (E_RNA)
where:
Base-Base interactions energy: -181.109
where: short stacking energy: -103.078
Base-Backbone interact. energy: -1.665
local terms energy: -113.734025
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -24.248
flat angles P-C4'-P energy: -23.527
tors. eta vs tors. theta energy: -23.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -263.865369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.865369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.865369 (E_RNA)
where:
Base-Base interactions energy: -162.860
where: short stacking energy: -90.129
Base-Backbone interact. energy: -0.468
local terms energy: -100.537803
where:
bonds (distance) C4'-P energy: -23.558
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -20.698
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -19.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -174.493594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.493594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.493594 (E_RNA)
where:
Base-Base interactions energy: -83.552
where: short stacking energy: -60.146
Base-Backbone interact. energy: -0.558
local terms energy: -90.382873
where:
bonds (distance) C4'-P energy: -26.483
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -159.472013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.472013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.472013 (E_RNA)
where:
Base-Base interactions energy: -75.387
where: short stacking energy: -44.415
Base-Backbone interact. energy: -1.186
local terms energy: -82.898604
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -18.051
tors. eta vs tors. theta energy: -5.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -170.383600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.383600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.383600 (E_RNA)
where:
Base-Base interactions energy: -85.987
where: short stacking energy: -47.438
Base-Backbone interact. energy: -0.439
local terms energy: -83.957394
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -27.342
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -18.819
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: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -140.328270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.328270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.328270 (E_RNA)
where:
Base-Base interactions energy: -63.740
where: short stacking energy: -56.907
Base-Backbone interact. energy: 1.459
local terms energy: -78.048034
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -18.470
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: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -136.412097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.412097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.412097 (E_RNA)
where:
Base-Base interactions energy: -50.013
where: short stacking energy: -50.013
Base-Backbone interact. energy: 2.162
local terms energy: -88.561490
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -26.622
flat angles P-C4'-P energy: -21.221
tors. eta vs tors. theta energy: -4.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -411.331231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.331231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.331231 (E_RNA)
where:
Base-Base interactions energy: -270.482
where: short stacking energy: -121.965
Base-Backbone interact. energy: -0.377
local terms energy: -140.472324
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -30.139
flat angles P-C4'-P energy: -19.666
tors. eta vs tors. theta energy: -42.105
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: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -389.509205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.509205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.509205 (E_RNA)
where:
Base-Base interactions energy: -256.786
where: short stacking energy: -125.700
Base-Backbone interact. energy: -0.232
local terms energy: -132.491525
where:
bonds (distance) C4'-P energy: -20.084
bonds (distance) P-C4' energy: -23.710
flat angles C4'-P-C4' energy: -31.430
flat angles P-C4'-P energy: -21.787
tors. eta vs tors. theta energy: -35.481
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: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -376.920419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.920419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.920419 (E_RNA)
where:
Base-Base interactions energy: -246.056
where: short stacking energy: -124.237
Base-Backbone interact. energy: -0.626
local terms energy: -130.238353
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -27.658
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -38.783
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: 10
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -311.867392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.867392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.867392 (E_RNA)
where:
Base-Base interactions energy: -188.939
where: short stacking energy: -102.127
Base-Backbone interact. energy: -1.297
local terms energy: -121.631713
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -28.675
flat angles C4'-P-C4' energy: -30.516
flat angles P-C4'-P energy: -18.106
tors. eta vs tors. theta energy: -30.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -276.662674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.662674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.662674 (E_RNA)
where:
Base-Base interactions energy: -163.869
where: short stacking energy: -102.797
Base-Backbone interact. energy: -0.111
local terms energy: -112.682023
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -30.142
flat angles P-C4'-P energy: -16.260
tors. eta vs tors. theta energy: -27.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -170.201490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.201490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.201490 (E_RNA)
where:
Base-Base interactions energy: -70.725
where: short stacking energy: -62.954
Base-Backbone interact. energy: -0.301
local terms energy: -99.175772
where:
bonds (distance) C4'-P energy: -28.935
bonds (distance) P-C4' energy: -25.721
flat angles C4'-P-C4' energy: -26.422
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -200.959999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.959999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.959999 (E_RNA)
where:
Base-Base interactions energy: -110.163
where: short stacking energy: -58.694
Base-Backbone interact. energy: -0.810
local terms energy: -89.987117
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -25.591
flat angles P-C4'-P energy: -16.922
tors. eta vs tors. theta energy: -6.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -125.188651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.188651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.188651 (E_RNA)
where:
Base-Base interactions energy: -54.313
where: short stacking energy: -52.499
Base-Backbone interact. energy: -0.097
local terms energy: -70.779006
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -18.254
flat angles C4'-P-C4' energy: -20.284
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -2.804
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: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -137.742273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.742273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.742273 (E_RNA)
where:
Base-Base interactions energy: -56.563
where: short stacking energy: -50.455
Base-Backbone interact. energy: -0.082
local terms energy: -81.097496
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -22.541
flat angles C4'-P-C4' energy: -28.304
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: 0.743
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: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -126.751558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.751558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.751558 (E_RNA)
where:
Base-Base interactions energy: -42.697
where: short stacking energy: -42.668
Base-Backbone interact. energy: 1.055
local terms energy: -85.109645
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -9.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -411.895191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.895191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.895191 (E_RNA)
where:
Base-Base interactions energy: -264.055
where: short stacking energy: -130.909
Base-Backbone interact. energy: -0.504
local terms energy: -147.336278
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -31.056
flat angles C4'-P-C4' energy: -30.253
flat angles P-C4'-P energy: -21.027
tors. eta vs tors. theta energy: -41.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -406.373401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.373401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.373401 (E_RNA)
where:
Base-Base interactions energy: -277.301
where: short stacking energy: -132.202
Base-Backbone interact. energy: -0.865
local terms energy: -128.207344
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -25.701
flat angles C4'-P-C4' energy: -25.353
flat angles P-C4'-P energy: -21.604
tors. eta vs tors. theta energy: -37.430
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: 43
Temperature: 1.000000
Total energy: -379.765676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.765676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.765676 (E_RNA)
where:
Base-Base interactions energy: -258.676
where: short stacking energy: -130.973
Base-Backbone interact. energy: -0.092
local terms energy: -120.997156
where:
bonds (distance) C4'-P energy: -24.486
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -29.631
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -33.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -317.107831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.107831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.107831 (E_RNA)
where:
Base-Base interactions energy: -196.302
where: short stacking energy: -120.270
Base-Backbone interact. energy: -0.793
local terms energy: -120.012748
where:
bonds (distance) C4'-P energy: -28.408
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -26.441
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -33.209
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: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -263.098521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.098521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.098521 (E_RNA)
where:
Base-Base interactions energy: -153.625
where: short stacking energy: -89.213
Base-Backbone interact. energy: -0.419
local terms energy: -109.054196
where:
bonds (distance) C4'-P energy: -25.727
bonds (distance) P-C4' energy: -26.955
flat angles C4'-P-C4' energy: -23.774
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -217.888014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.888014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.888014 (E_RNA)
where:
Base-Base interactions energy: -133.435
where: short stacking energy: -76.067
Base-Backbone interact. energy: 0.239
local terms energy: -84.691778
where:
bonds (distance) C4'-P energy: -22.529
bonds (distance) P-C4' energy: -26.861
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -3.928
tors. eta vs tors. theta energy: -12.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -155.476488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.476488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.476488 (E_RNA)
where:
Base-Base interactions energy: -69.624
where: short stacking energy: -69.492
Base-Backbone interact. energy: -0.478
local terms energy: -85.374144
where:
bonds (distance) C4'-P energy: -18.982
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -25.432
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -9.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -146.637629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.637629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.637629 (E_RNA)
where:
Base-Base interactions energy: -66.090
where: short stacking energy: -66.890
Base-Backbone interact. energy: -0.470
local terms energy: -80.076872
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -6.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -127.654612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.654612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.654612 (E_RNA)
where:
Base-Base interactions energy: -53.480
where: short stacking energy: -47.050
Base-Backbone interact. energy: -0.342
local terms energy: -73.832570
where:
bonds (distance) C4'-P energy: -22.248
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -4.190
tors. eta vs tors. theta energy: -5.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -126.129785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.129785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.129785 (E_RNA)
where:
Base-Base interactions energy: -55.112
where: short stacking energy: -53.033
Base-Backbone interact. energy: -0.157
local terms energy: -70.861301
where:
bonds (distance) C4'-P energy: -25.607
bonds (distance) P-C4' energy: -20.174
flat angles C4'-P-C4' energy: -9.658
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -419.584605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.584605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.584605 (E_RNA)
where:
Base-Base interactions energy: -269.769
where: short stacking energy: -140.454
Base-Backbone interact. energy: -0.919
local terms energy: -148.896288
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -24.945
flat angles C4'-P-C4' energy: -33.627
flat angles P-C4'-P energy: -23.970
tors. eta vs tors. theta energy: -44.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -384.013378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.013378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.013378 (E_RNA)
where:
Base-Base interactions energy: -254.167
where: short stacking energy: -121.932
Base-Backbone interact. energy: -0.715
local terms energy: -129.130617
where:
bonds (distance) C4'-P energy: -24.261
bonds (distance) P-C4' energy: -25.336
flat angles C4'-P-C4' energy: -26.965
flat angles P-C4'-P energy: -16.305
tors. eta vs tors. theta energy: -36.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -387.221866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.221866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.221866 (E_RNA)
where:
Base-Base interactions energy: -260.660
where: short stacking energy: -137.351
Base-Backbone interact. energy: 0.021
local terms energy: -126.582581
where:
bonds (distance) C4'-P energy: -26.322
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -25.545
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: -35.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -306.343987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.343987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.343987 (E_RNA)
where:
Base-Base interactions energy: -186.426
where: short stacking energy: -112.789
Base-Backbone interact. energy: -0.285
local terms energy: -119.632726
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -26.762
flat angles P-C4'-P energy: -18.259
tors. eta vs tors. theta energy: -31.251
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: 44
Temperature: 1.100000
Total energy: -258.025709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.025709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.025709 (E_RNA)
where:
Base-Base interactions energy: -162.506
where: short stacking energy: -85.554
Base-Backbone interact. energy: -0.834
local terms energy: -94.685917
where:
bonds (distance) C4'-P energy: -22.576
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -13.900
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: 44
Temperature: 1.150000
Total energy: -226.929970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.929970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.929970 (E_RNA)
where:
Base-Base interactions energy: -124.284
where: short stacking energy: -83.058
Base-Backbone interact. energy: -0.797
local terms energy: -101.849525
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -27.062
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -20.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -169.005762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.005762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.005762 (E_RNA)
where:
Base-Base interactions energy: -69.019
where: short stacking energy: -69.357
Base-Backbone interact. energy: 0.236
local terms energy: -100.222912
where:
bonds (distance) C4'-P energy: -23.616
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -13.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -155.008793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.008793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.008793 (E_RNA)
where:
Base-Base interactions energy: -67.409
where: short stacking energy: -56.303
Base-Backbone interact. energy: 0.684
local terms energy: -88.283666
where:
bonds (distance) C4'-P energy: -24.708
bonds (distance) P-C4' energy: -28.275
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -149.605017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.605017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.605017 (E_RNA)
where:
Base-Base interactions energy: -55.243
where: short stacking energy: -47.476
Base-Backbone interact. energy: -0.683
local terms energy: -93.679340
where:
bonds (distance) C4'-P energy: -23.111
bonds (distance) P-C4' energy: -23.415
flat angles C4'-P-C4' energy: -29.803
flat angles P-C4'-P energy: -17.728
tors. eta vs tors. theta energy: 0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -130.072054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.072054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.072054 (E_RNA)
where:
Base-Base interactions energy: -52.757
where: short stacking energy: -51.094
Base-Backbone interact. energy: -1.246
local terms energy: -76.069181
where:
bonds (distance) C4'-P energy: -26.633
bonds (distance) P-C4' energy: -20.961
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -5.947
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -419.988785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.988785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.988785 (E_RNA)
where:
Base-Base interactions energy: -275.350
where: short stacking energy: -139.823
Base-Backbone interact. energy: -0.411
local terms energy: -144.228737
where:
bonds (distance) C4'-P energy: -24.592
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -32.741
flat angles P-C4'-P energy: -17.966
tors. eta vs tors. theta energy: -44.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -386.140702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.140702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.140702 (E_RNA)
where:
Base-Base interactions energy: -252.539
where: short stacking energy: -114.040
Base-Backbone interact. energy: -0.267
local terms energy: -133.334163
where:
bonds (distance) C4'-P energy: -25.826
bonds (distance) P-C4' energy: -27.035
flat angles C4'-P-C4' energy: -31.161
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: -29.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -380.863190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.863190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.863190 (E_RNA)
where:
Base-Base interactions energy: -249.018
where: short stacking energy: -117.185
Base-Backbone interact. energy: -0.162
local terms energy: -131.683411
where:
bonds (distance) C4'-P energy: -26.764
bonds (distance) P-C4' energy: -28.124
flat angles C4'-P-C4' energy: -27.317
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -32.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -329.784663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.784663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.784663 (E_RNA)
where:
Base-Base interactions energy: -194.332
where: short stacking energy: -119.849
Base-Backbone interact. energy: -1.191
local terms energy: -134.262549
where:
bonds (distance) C4'-P energy: -23.975
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -31.615
flat angles P-C4'-P energy: -20.408
tors. eta vs tors. theta energy: -34.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -266.249084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.249084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.249084 (E_RNA)
where:
Base-Base interactions energy: -157.050
where: short stacking energy: -89.904
Base-Backbone interact. energy: -1.043
local terms energy: -108.156308
where:
bonds (distance) C4'-P energy: -21.313
bonds (distance) P-C4' energy: -27.765
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -24.745
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: 6
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -189.302258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.302258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.302258 (E_RNA)
where:
Base-Base interactions energy: -75.383
where: short stacking energy: -74.456
Base-Backbone interact. energy: -1.032
local terms energy: -112.887161
where:
bonds (distance) C4'-P energy: -26.249
bonds (distance) P-C4' energy: -30.636
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -21.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -203.872029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.872029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.872029 (E_RNA)
where:
Base-Base interactions energy: -113.546
where: short stacking energy: -75.248
Base-Backbone interact. energy: -0.126
local terms energy: -90.199627
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -24.572
flat angles P-C4'-P energy: -11.423
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: 8, replica: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -150.219315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.219315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.219315 (E_RNA)
where:
Base-Base interactions energy: -57.862
where: short stacking energy: -57.862
Base-Backbone interact. energy: -1.192
local terms energy: -91.165209
where:
bonds (distance) C4'-P energy: -25.644
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -27.727
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -5.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -131.174477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.174477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.174477 (E_RNA)
where:
Base-Base interactions energy: -49.722
where: short stacking energy: -48.714
Base-Backbone interact. energy: 0.134
local terms energy: -81.586807
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -25.205
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -144.599633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.599633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.599633 (E_RNA)
where:
Base-Base interactions energy: -65.571
where: short stacking energy: -58.608
Base-Backbone interact. energy: -1.109
local terms energy: -77.919939
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -21.812
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -6.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -387.135454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.135454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.135454 (E_RNA)
where:
Base-Base interactions energy: -257.258
where: short stacking energy: -128.251
Base-Backbone interact. energy: -0.957
local terms energy: -128.920524
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -30.246
flat angles C4'-P-C4' energy: -25.061
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -32.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -412.832322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.832322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.832322 (E_RNA)
where:
Base-Base interactions energy: -276.963
where: short stacking energy: -142.289
Base-Backbone interact. energy: -0.101
local terms energy: -135.767760
where:
bonds (distance) C4'-P energy: -24.711
bonds (distance) P-C4' energy: -28.229
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -17.183
tors. eta vs tors. theta energy: -43.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -378.977758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.977758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.977758 (E_RNA)
where:
Base-Base interactions energy: -249.623
where: short stacking energy: -120.338
Base-Backbone interact. energy: -0.696
local terms energy: -128.659165
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -29.535
flat angles P-C4'-P energy: -16.794
tors. eta vs tors. theta energy: -37.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -308.288901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.288901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.288901 (E_RNA)
where:
Base-Base interactions energy: -186.272
where: short stacking energy: -102.804
Base-Backbone interact. energy: -1.682
local terms energy: -120.334823
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -23.620
flat angles C4'-P-C4' energy: -26.722
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -31.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -283.177983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.177983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.177983 (E_RNA)
where:
Base-Base interactions energy: -155.862
where: short stacking energy: -88.773
Base-Backbone interact. energy: -0.575
local terms energy: -126.741875
where:
bonds (distance) C4'-P energy: -28.384
bonds (distance) P-C4' energy: -29.779
flat angles C4'-P-C4' energy: -25.327
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -24.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -166.652408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.652408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.652408 (E_RNA)
where:
Base-Base interactions energy: -74.138
where: short stacking energy: -71.777
Base-Backbone interact. energy: -0.091
local terms energy: -92.423742
where:
bonds (distance) C4'-P energy: -25.332
bonds (distance) P-C4' energy: -25.044
flat angles C4'-P-C4' energy: -24.322
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -228.495665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.495665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.495665 (E_RNA)
where:
Base-Base interactions energy: -116.960
where: short stacking energy: -68.824
Base-Backbone interact. energy: -0.671
local terms energy: -110.865063
where:
bonds (distance) C4'-P energy: -21.088
bonds (distance) P-C4' energy: -29.105
flat angles C4'-P-C4' energy: -23.245
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -18.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -150.273661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.273661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.273661 (E_RNA)
where:
Base-Base interactions energy: -63.215
where: short stacking energy: -51.038
Base-Backbone interact. energy: -0.004
local terms energy: -87.054936
where:
bonds (distance) C4'-P energy: -22.695
bonds (distance) P-C4' energy: -23.618
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -139.270961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.270961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.270961 (E_RNA)
where:
Base-Base interactions energy: -58.242
where: short stacking energy: -48.972
Base-Backbone interact. energy: 0.950
local terms energy: -81.978499
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -29.148
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -11.362
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: 10, replica: 5
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -128.025882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.025882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.025882 (E_RNA)
where:
Base-Base interactions energy: -38.408
where: short stacking energy: -37.615
Base-Backbone interact. energy: -0.414
local terms energy: -89.203441
where:
bonds (distance) C4'-P energy: -23.516
bonds (distance) P-C4' energy: -25.686
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -17.709
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -379.724803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.724803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.724803 (E_RNA)
where:
Base-Base interactions energy: -235.074
where: short stacking energy: -128.542
Base-Backbone interact. energy: -0.086
local terms energy: -144.564479
where:
bonds (distance) C4'-P energy: -28.162
bonds (distance) P-C4' energy: -25.962
flat angles C4'-P-C4' energy: -27.997
flat angles P-C4'-P energy: -22.260
tors. eta vs tors. theta energy: -40.185
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: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -405.571524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.571524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.571524 (E_RNA)
where:
Base-Base interactions energy: -268.369
where: short stacking energy: -131.631
Base-Backbone interact. energy: -0.047
local terms energy: -137.156015
where:
bonds (distance) C4'-P energy: -24.894
bonds (distance) P-C4' energy: -26.440
flat angles C4'-P-C4' energy: -22.522
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -43.357
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: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -385.856454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.856454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.856454 (E_RNA)
where:
Base-Base interactions energy: -246.156
where: short stacking energy: -115.498
Base-Backbone interact. energy: -0.247
local terms energy: -139.453312
where:
bonds (distance) C4'-P energy: -27.767
bonds (distance) P-C4' energy: -24.967
flat angles C4'-P-C4' energy: -28.456
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: -33.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -309.488605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.488605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.488605 (E_RNA)
where:
Base-Base interactions energy: -186.523
where: short stacking energy: -103.073
Base-Backbone interact. energy: -0.644
local terms energy: -122.321772
where:
bonds (distance) C4'-P energy: -23.693
bonds (distance) P-C4' energy: -27.959
flat angles C4'-P-C4' energy: -26.810
flat angles P-C4'-P energy: -16.175
tors. eta vs tors. theta energy: -27.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -271.848999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.848999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.848999 (E_RNA)
where:
Base-Base interactions energy: -153.324
where: short stacking energy: -97.370
Base-Backbone interact. energy: -0.015
local terms energy: -118.510013
where:
bonds (distance) C4'-P energy: -28.253
bonds (distance) P-C4' energy: -23.735
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -20.454
tors. eta vs tors. theta energy: -23.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -206.661992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.661992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.661992 (E_RNA)
where:
Base-Base interactions energy: -116.995
where: short stacking energy: -70.959
Base-Backbone interact. energy: -0.172
local terms energy: -89.495720
where:
bonds (distance) C4'-P energy: -22.228
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -24.900
flat angles P-C4'-P energy: -14.282
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: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -178.468791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.468791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.468791 (E_RNA)
where:
Base-Base interactions energy: -68.701
where: short stacking energy: -65.932
Base-Backbone interact. energy: -0.090
local terms energy: -109.677431
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -26.971
flat angles C4'-P-C4' energy: -26.693
flat angles P-C4'-P energy: -15.261
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: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -144.486733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.486733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.486733 (E_RNA)
where:
Base-Base interactions energy: -59.326
where: short stacking energy: -49.546
Base-Backbone interact. energy: -0.693
local terms energy: -84.468297
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -22.706
flat angles C4'-P-C4' energy: -26.536
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -2.423
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: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -131.970066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.970066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.970066 (E_RNA)
where:
Base-Base interactions energy: -55.315
where: short stacking energy: -38.015
Base-Backbone interact. energy: 0.277
local terms energy: -76.932471
where:
bonds (distance) C4'-P energy: -23.605
bonds (distance) P-C4' energy: -28.864
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: 1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -130.610596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.610596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.610596 (E_RNA)
where:
Base-Base interactions energy: -54.778
where: short stacking energy: -50.496
Base-Backbone interact. energy: -2.429
local terms energy: -73.404007
where:
bonds (distance) C4'-P energy: -25.047
bonds (distance) P-C4' energy: -25.880
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -10.181
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -421.030975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.030975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.030975 (E_RNA)
where:
Base-Base interactions energy: -270.516
where: short stacking energy: -133.919
Base-Backbone interact. energy: -0.638
local terms energy: -149.876892
where:
bonds (distance) C4'-P energy: -28.266
bonds (distance) P-C4' energy: -30.499
flat angles C4'-P-C4' energy: -29.155
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: -40.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -366.562010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.562010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.562010 (E_RNA)
where:
Base-Base interactions energy: -238.748
where: short stacking energy: -129.311
Base-Backbone interact. energy: -1.186
local terms energy: -126.628326
where:
bonds (distance) C4'-P energy: -27.037
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -26.796
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -34.258
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: 3, replica: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -376.055589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.055589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.055589 (E_RNA)
where:
Base-Base interactions energy: -251.045
where: short stacking energy: -120.808
Base-Backbone interact. energy: -1.879
local terms energy: -123.131965
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -25.111
flat angles C4'-P-C4' energy: -29.039
flat angles P-C4'-P energy: -18.338
tors. eta vs tors. theta energy: -33.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -317.383253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.383253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.383253 (E_RNA)
where:
Base-Base interactions energy: -198.830
where: short stacking energy: -119.412
Base-Backbone interact. energy: -0.150
local terms energy: -118.403305
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -29.038
flat angles C4'-P-C4' energy: -23.726
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -32.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -265.698964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.698964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.698964 (E_RNA)
where:
Base-Base interactions energy: -146.051
where: short stacking energy: -89.929
Base-Backbone interact. energy: -1.271
local terms energy: -118.377113
where:
bonds (distance) C4'-P energy: -24.534
bonds (distance) P-C4' energy: -28.857
flat angles C4'-P-C4' energy: -26.125
flat angles P-C4'-P energy: -17.687
tors. eta vs tors. theta energy: -21.174
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: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -202.564886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.564886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.564886 (E_RNA)
where:
Base-Base interactions energy: -101.368
where: short stacking energy: -72.438
Base-Backbone interact. energy: -0.667
local terms energy: -100.529378
where:
bonds (distance) C4'-P energy: -26.260
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -25.422
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -14.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -154.931993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.931993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.931993 (E_RNA)
where:
Base-Base interactions energy: -61.317
where: short stacking energy: -52.113
Base-Backbone interact. energy: -0.402
local terms energy: -93.212975
where:
bonds (distance) C4'-P energy: -27.018
bonds (distance) P-C4' energy: -27.078
flat angles C4'-P-C4' energy: -23.075
flat angles P-C4'-P energy: -12.843
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: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -140.014440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.014440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.014440 (E_RNA)
where:
Base-Base interactions energy: -53.867
where: short stacking energy: -47.859
Base-Backbone interact. energy: -0.253
local terms energy: -85.894530
where:
bonds (distance) C4'-P energy: -25.889
bonds (distance) P-C4' energy: -21.376
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -15.538
tors. eta vs tors. theta energy: -3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -147.513159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.513159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.513159 (E_RNA)
where:
Base-Base interactions energy: -57.339
where: short stacking energy: -44.031
Base-Backbone interact. energy: -0.735
local terms energy: -89.439623
where:
bonds (distance) C4'-P energy: -23.554
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -16.379
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: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -124.739316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.739316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.739316 (E_RNA)
where:
Base-Base interactions energy: -42.477
where: short stacking energy: -39.059
Base-Backbone interact. energy: -0.797
local terms energy: -81.465364
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -27.821
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: 0.747
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -423.206575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.206575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.206575 (E_RNA)
where:
Base-Base interactions energy: -282.756
where: short stacking energy: -141.042
Base-Backbone interact. energy: -0.527
local terms energy: -139.924112
where:
bonds (distance) C4'-P energy: -23.138
bonds (distance) P-C4' energy: -26.438
flat angles C4'-P-C4' energy: -28.985
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -43.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -409.993034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.993034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.993034 (E_RNA)
where:
Base-Base interactions energy: -271.339
where: short stacking energy: -128.452
Base-Backbone interact. energy: -0.093
local terms energy: -138.560886
where:
bonds (distance) C4'-P energy: -27.293
bonds (distance) P-C4' energy: -31.372
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -39.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -361.920863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.920863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.920863 (E_RNA)
where:
Base-Base interactions energy: -237.217
where: short stacking energy: -130.875
Base-Backbone interact. energy: -0.039
local terms energy: -124.664810
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -27.787
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -33.107
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: 4, replica: 10
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -299.693799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.693799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.693799 (E_RNA)
where:
Base-Base interactions energy: -176.692
where: short stacking energy: -100.566
Base-Backbone interact. energy: 0.070
local terms energy: -123.071303
where:
bonds (distance) C4'-P energy: -30.284
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -26.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -258.794040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.794040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.794040 (E_RNA)
where:
Base-Base interactions energy: -154.420
where: short stacking energy: -92.488
Base-Backbone interact. energy: 0.115
local terms energy: -104.489275
where:
bonds (distance) C4'-P energy: -21.238
bonds (distance) P-C4' energy: -26.838
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -21.197
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: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -151.079888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.079888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.079888 (E_RNA)
where:
Base-Base interactions energy: -57.153
where: short stacking energy: -57.062
Base-Backbone interact. energy: -0.431
local terms energy: -93.496701
where:
bonds (distance) C4'-P energy: -28.258
bonds (distance) P-C4' energy: -17.730
flat angles C4'-P-C4' energy: -30.362
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -6.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -169.553229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.553229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.553229 (E_RNA)
where:
Base-Base interactions energy: -81.726
where: short stacking energy: -62.800
Base-Backbone interact. energy: 0.268
local terms energy: -88.095320
where:
bonds (distance) C4'-P energy: -24.326
bonds (distance) P-C4' energy: -23.277
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -10.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -147.156647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.156647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.156647 (E_RNA)
where:
Base-Base interactions energy: -66.582
where: short stacking energy: -46.422
Base-Backbone interact. energy: 0.932
local terms energy: -81.506217
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -28.530
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: 6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -120.178669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.178669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.178669 (E_RNA)
where:
Base-Base interactions energy: -43.534
where: short stacking energy: -41.275
Base-Backbone interact. energy: -0.542
local terms energy: -76.103191
where:
bonds (distance) C4'-P energy: -21.632
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -13.395
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: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -132.443535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.443535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.443535 (E_RNA)
where:
Base-Base interactions energy: -50.527
where: short stacking energy: -44.903
Base-Backbone interact. energy: 2.285
local terms energy: -84.201546
where:
bonds (distance) C4'-P energy: -22.995
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -417.983869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.983869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.983869 (E_RNA)
where:
Base-Base interactions energy: -281.435
where: short stacking energy: -136.194
Base-Backbone interact. energy: -0.416
local terms energy: -136.132927
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -24.540
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -17.766
tors. eta vs tors. theta energy: -39.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -406.705012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.705012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.705012 (E_RNA)
where:
Base-Base interactions energy: -270.830
where: short stacking energy: -141.258
Base-Backbone interact. energy: -0.028
local terms energy: -135.846364
where:
bonds (distance) C4'-P energy: -26.073
bonds (distance) P-C4' energy: -22.702
flat angles C4'-P-C4' energy: -28.721
flat angles P-C4'-P energy: -14.834
tors. eta vs tors. theta energy: -43.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -354.829776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.829776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.829776 (E_RNA)
where:
Base-Base interactions energy: -228.613
where: short stacking energy: -130.713
Base-Backbone interact. energy: -0.059
local terms energy: -126.157634
where:
bonds (distance) C4'-P energy: -22.461
bonds (distance) P-C4' energy: -20.023
flat angles C4'-P-C4' energy: -27.084
flat angles P-C4'-P energy: -19.428
tors. eta vs tors. theta energy: -37.163
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: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -291.071931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.071931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.071931 (E_RNA)
where:
Base-Base interactions energy: -174.225
where: short stacking energy: -98.039
Base-Backbone interact. energy: -0.616
local terms energy: -116.230905
where:
bonds (distance) C4'-P energy: -23.716
bonds (distance) P-C4' energy: -23.389
flat angles C4'-P-C4' energy: -21.899
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -28.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -268.364632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.364632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.364632 (E_RNA)
where:
Base-Base interactions energy: -166.519
where: short stacking energy: -89.302
Base-Backbone interact. energy: -0.955
local terms energy: -100.890865
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -18.907
tors. eta vs tors. theta energy: -18.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -173.378715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.378715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.378715 (E_RNA)
where:
Base-Base interactions energy: -78.962
where: short stacking energy: -71.491
Base-Backbone interact. energy: -0.153
local terms energy: -94.263959
where:
bonds (distance) C4'-P energy: -21.644
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -10.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -157.079341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.079341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.079341 (E_RNA)
where:
Base-Base interactions energy: -64.751
where: short stacking energy: -64.751
Base-Backbone interact. energy: -0.078
local terms energy: -92.250577
where:
bonds (distance) C4'-P energy: -24.112
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -18.214
tors. eta vs tors. theta energy: -4.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -139.345810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.345810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.345810 (E_RNA)
where:
Base-Base interactions energy: -63.146
where: short stacking energy: -53.101
Base-Backbone interact. energy: -0.303
local terms energy: -75.896512
where:
bonds (distance) C4'-P energy: -20.294
bonds (distance) P-C4' energy: -24.735
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: 3.366
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: 5
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -136.513104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.513104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.513104 (E_RNA)
where:
Base-Base interactions energy: -44.628
where: short stacking energy: -42.059
Base-Backbone interact. energy: -0.347
local terms energy: -91.537836
where:
bonds (distance) C4'-P energy: -28.347
bonds (distance) P-C4' energy: -27.933
flat angles C4'-P-C4' energy: -26.102
flat angles P-C4'-P energy: -9.239
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: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -129.807881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.807881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.807881 (E_RNA)
where:
Base-Base interactions energy: -49.401
where: short stacking energy: -48.432
Base-Backbone interact. energy: -0.541
local terms energy: -79.866308
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -5.309
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -427.949005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.949005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.949005 (E_RNA)
where:
Base-Base interactions energy: -283.250
where: short stacking energy: -141.693
Base-Backbone interact. energy: -0.005
local terms energy: -144.693714
where:
bonds (distance) C4'-P energy: -26.989
bonds (distance) P-C4' energy: -28.663
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -21.072
tors. eta vs tors. theta energy: -39.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -403.849676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.849676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.849676 (E_RNA)
where:
Base-Base interactions energy: -265.089
where: short stacking energy: -144.998
Base-Backbone interact. energy: -0.338
local terms energy: -138.422680
where:
bonds (distance) C4'-P energy: -26.221
bonds (distance) P-C4' energy: -28.252
flat angles C4'-P-C4' energy: -26.508
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -37.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -362.273686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.273686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.273686 (E_RNA)
where:
Base-Base interactions energy: -234.536
where: short stacking energy: -129.130
Base-Backbone interact. energy: -0.147
local terms energy: -127.590802
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -25.703
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -37.210
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: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -281.553457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.553457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.553457 (E_RNA)
where:
Base-Base interactions energy: -163.786
where: short stacking energy: -94.538
Base-Backbone interact. energy: -1.235
local terms energy: -116.532316
where:
bonds (distance) C4'-P energy: -24.807
bonds (distance) P-C4' energy: -27.038
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -303.224252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.224252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.224252 (E_RNA)
where:
Base-Base interactions energy: -182.924
where: short stacking energy: -94.516
Base-Backbone interact. energy: -0.824
local terms energy: -119.475799
where:
bonds (distance) C4'-P energy: -26.148
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -25.635
flat angles P-C4'-P energy: -19.150
tors. eta vs tors. theta energy: -25.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -153.884274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.884274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.884274 (E_RNA)
where:
Base-Base interactions energy: -62.881
where: short stacking energy: -49.160
Base-Backbone interact. energy: -1.199
local terms energy: -89.804322
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -26.217
flat angles C4'-P-C4' energy: -24.229
flat angles P-C4'-P energy: -16.465
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: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -168.322045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.322045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.322045 (E_RNA)
where:
Base-Base interactions energy: -80.366
where: short stacking energy: -61.014
Base-Backbone interact. energy: 0.557
local terms energy: -88.513667
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -174.708417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.708417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.708417 (E_RNA)
where:
Base-Base interactions energy: -82.813
where: short stacking energy: -72.539
Base-Backbone interact. energy: -0.086
local terms energy: -91.809331
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -22.854
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -137.456144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.456144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.456144 (E_RNA)
where:
Base-Base interactions energy: -61.558
where: short stacking energy: -52.867
Base-Backbone interact. energy: 0.441
local terms energy: -76.338753
where:
bonds (distance) C4'-P energy: -20.225
bonds (distance) P-C4' energy: -25.028
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -8.869
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: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -121.192725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.192725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.192725 (E_RNA)
where:
Base-Base interactions energy: -34.331
where: short stacking energy: -32.329
Base-Backbone interact. energy: -0.442
local terms energy: -86.419836
where:
bonds (distance) C4'-P energy: -22.197
bonds (distance) P-C4' energy: -26.749
flat angles C4'-P-C4' energy: -24.496
flat angles P-C4'-P energy: -13.851
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -421.634450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.634450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.634450 (E_RNA)
where:
Base-Base interactions energy: -280.598
where: short stacking energy: -140.831
Base-Backbone interact. energy: -0.286
local terms energy: -140.750728
where:
bonds (distance) C4'-P energy: -27.539
bonds (distance) P-C4' energy: -24.418
flat angles C4'-P-C4' energy: -26.440
flat angles P-C4'-P energy: -21.280
tors. eta vs tors. theta energy: -41.074
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: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -412.942199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.942199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.942199 (E_RNA)
where:
Base-Base interactions energy: -278.308
where: short stacking energy: -127.247
Base-Backbone interact. energy: -0.172
local terms energy: -134.462602
where:
bonds (distance) C4'-P energy: -23.383
bonds (distance) P-C4' energy: -26.658
flat angles C4'-P-C4' energy: -29.948
flat angles P-C4'-P energy: -16.910
tors. eta vs tors. theta energy: -37.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -356.728672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.728672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.728672 (E_RNA)
where:
Base-Base interactions energy: -224.591
where: short stacking energy: -124.336
Base-Backbone interact. energy: 1.101
local terms energy: -133.239093
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -29.171
flat angles C4'-P-C4' energy: -29.731
flat angles P-C4'-P energy: -21.343
tors. eta vs tors. theta energy: -30.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -277.506710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.506710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.506710 (E_RNA)
where:
Base-Base interactions energy: -168.494
where: short stacking energy: -99.716
Base-Backbone interact. energy: -1.041
local terms energy: -107.971408
where:
bonds (distance) C4'-P energy: -27.743
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -26.613
flat angles P-C4'-P energy: -14.042
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: 10
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -299.828293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.828293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.828293 (E_RNA)
where:
Base-Base interactions energy: -181.527
where: short stacking energy: -99.980
Base-Backbone interact. energy: 0.530
local terms energy: -118.831725
where:
bonds (distance) C4'-P energy: -26.090
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -27.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -168.593377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.593377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.593377 (E_RNA)
where:
Base-Base interactions energy: -69.656
where: short stacking energy: -62.113
Base-Backbone interact. energy: -0.538
local terms energy: -98.399648
where:
bonds (distance) C4'-P energy: -26.369
bonds (distance) P-C4' energy: -27.854
flat angles C4'-P-C4' energy: -22.794
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -14.500
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: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -160.591557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.591557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.591557 (E_RNA)
where:
Base-Base interactions energy: -68.121
where: short stacking energy: -63.079
Base-Backbone interact. energy: -0.265
local terms energy: -92.205116
where:
bonds (distance) C4'-P energy: -21.904
bonds (distance) P-C4' energy: -24.891
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -142.786509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.786509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.786509 (E_RNA)
where:
Base-Base interactions energy: -49.376
where: short stacking energy: -47.946
Base-Backbone interact. energy: -1.066
local terms energy: -92.344620
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -5.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -130.779858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.779858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.779858 (E_RNA)
where:
Base-Base interactions energy: -49.005
where: short stacking energy: -50.205
Base-Backbone interact. energy: -0.135
local terms energy: -81.639464
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -144.596252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.596252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.596252 (E_RNA)
where:
Base-Base interactions energy: -71.346
where: short stacking energy: -54.990
Base-Backbone interact. energy: 1.532
local terms energy: -74.782373
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -413.392724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.392724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.392724 (E_RNA)
where:
Base-Base interactions energy: -265.113
where: short stacking energy: -139.964
Base-Backbone interact. energy: -0.600
local terms energy: -147.679431
where:
bonds (distance) C4'-P energy: -27.457
bonds (distance) P-C4' energy: -25.607
flat angles C4'-P-C4' energy: -31.774
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -43.951
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: 4
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -412.366994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.366994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.366994 (E_RNA)
where:
Base-Base interactions energy: -273.339
where: short stacking energy: -128.375
Base-Backbone interact. energy: -1.982
local terms energy: -137.046078
where:
bonds (distance) C4'-P energy: -24.327
bonds (distance) P-C4' energy: -26.528
flat angles C4'-P-C4' energy: -26.946
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -39.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -345.821837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.821837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.821837 (E_RNA)
where:
Base-Base interactions energy: -216.831
where: short stacking energy: -121.958
Base-Backbone interact. energy: -0.092
local terms energy: -128.899547
where:
bonds (distance) C4'-P energy: -27.175
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -25.578
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -34.665
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: 4, replica: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -303.533245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.533245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.533245 (E_RNA)
where:
Base-Base interactions energy: -180.075
where: short stacking energy: -107.866
Base-Backbone interact. energy: -1.347
local terms energy: -122.111744
where:
bonds (distance) C4'-P energy: -23.221
bonds (distance) P-C4' energy: -27.151
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -17.659
tors. eta vs tors. theta energy: -27.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -276.577366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.577366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.577366 (E_RNA)
where:
Base-Base interactions energy: -158.656
where: short stacking energy: -99.937
Base-Backbone interact. energy: 0.030
local terms energy: -117.950904
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -25.175
flat angles C4'-P-C4' energy: -23.757
flat angles P-C4'-P energy: -21.221
tors. eta vs tors. theta energy: -28.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -172.759904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.759904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.759904 (E_RNA)
where:
Base-Base interactions energy: -77.265
where: short stacking energy: -72.363
Base-Backbone interact. energy: 0.167
local terms energy: -95.662009
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -24.795
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -11.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -159.607544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.607544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.607544 (E_RNA)
where:
Base-Base interactions energy: -76.341
where: short stacking energy: -64.299
Base-Backbone interact. energy: 0.095
local terms energy: -83.361021
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -146.555313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.555313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.555313 (E_RNA)
where:
Base-Base interactions energy: -72.694
where: short stacking energy: -57.701
Base-Backbone interact. energy: -0.227
local terms energy: -73.634357
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -22.748
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -11.473
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: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -145.357343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.357343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.357343 (E_RNA)
where:
Base-Base interactions energy: -68.471
where: short stacking energy: -68.471
Base-Backbone interact. energy: -0.271
local terms energy: -76.615303
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -17.479
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -147.994888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.994888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.994888 (E_RNA)
where:
Base-Base interactions energy: -57.613
where: short stacking energy: -59.113
Base-Backbone interact. energy: 1.389
local terms energy: -91.770510
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -13.209
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -420.932584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.932584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.932584 (E_RNA)
where:
Base-Base interactions energy: -273.144
where: short stacking energy: -138.181
Base-Backbone interact. energy: -0.156
local terms energy: -147.633467
where:
bonds (distance) C4'-P energy: -26.704
bonds (distance) P-C4' energy: -29.123
flat angles C4'-P-C4' energy: -27.723
flat angles P-C4'-P energy: -21.986
tors. eta vs tors. theta energy: -42.097
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: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -407.398800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.398800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.398800 (E_RNA)
where:
Base-Base interactions energy: -275.098
where: short stacking energy: -128.084
Base-Backbone interact. energy: -1.240
local terms energy: -131.060546
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -30.617
flat angles P-C4'-P energy: -23.230
tors. eta vs tors. theta energy: -36.322
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: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -354.136437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.136437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.136437 (E_RNA)
where:
Base-Base interactions energy: -219.384
where: short stacking energy: -127.832
Base-Backbone interact. energy: -1.234
local terms energy: -133.518939
where:
bonds (distance) C4'-P energy: -27.543
bonds (distance) P-C4' energy: -23.259
flat angles C4'-P-C4' energy: -28.667
flat angles P-C4'-P energy: -17.504
tors. eta vs tors. theta energy: -36.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -326.542708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.542708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.542708 (E_RNA)
where:
Base-Base interactions energy: -206.913
where: short stacking energy: -121.766
Base-Backbone interact. energy: 3.418
local terms energy: -123.048187
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -26.767
flat angles C4'-P-C4' energy: -28.278
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -34.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -286.322611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.322611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.322611 (E_RNA)
where:
Base-Base interactions energy: -168.568
where: short stacking energy: -87.171
Base-Backbone interact. energy: -1.419
local terms energy: -116.335646
where:
bonds (distance) C4'-P energy: -23.938
bonds (distance) P-C4' energy: -27.811
flat angles C4'-P-C4' energy: -27.268
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -20.291
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: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -154.558200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.558200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.558200 (E_RNA)
where:
Base-Base interactions energy: -68.256
where: short stacking energy: -49.032
Base-Backbone interact. energy: -2.048
local terms energy: -84.255060
where:
bonds (distance) C4'-P energy: -22.302
bonds (distance) P-C4' energy: -24.713
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -15.354
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: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -152.318079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.318079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.318079 (E_RNA)
where:
Base-Base interactions energy: -57.676
where: short stacking energy: -57.004
Base-Backbone interact. energy: -0.892
local terms energy: -93.750975
where:
bonds (distance) C4'-P energy: -22.887
bonds (distance) P-C4' energy: -25.461
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -19.362
tors. eta vs tors. theta energy: -6.840
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: 3
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -138.114664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.114664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.114664 (E_RNA)
where:
Base-Base interactions energy: -62.759
where: short stacking energy: -60.005
Base-Backbone interact. energy: -0.367
local terms energy: -74.989158
where:
bonds (distance) C4'-P energy: -20.801
bonds (distance) P-C4' energy: -22.532
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -7.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -145.625344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.625344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.625344 (E_RNA)
where:
Base-Base interactions energy: -68.966
where: short stacking energy: -41.370
Base-Backbone interact. energy: 2.895
local terms energy: -79.553939
where:
bonds (distance) C4'-P energy: -24.091
bonds (distance) P-C4' energy: -26.505
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: 0.043
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: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -135.578868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.578868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.578868 (E_RNA)
where:
Base-Base interactions energy: -54.176
where: short stacking energy: -48.638
Base-Backbone interact. energy: -0.728
local terms energy: -80.675310
where:
bonds (distance) C4'-P energy: -24.571
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -11.268
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -418.584565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.584565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.584565 (E_RNA)
where:
Base-Base interactions energy: -270.089
where: short stacking energy: -137.155
Base-Backbone interact. energy: -2.648
local terms energy: -145.847986
where:
bonds (distance) C4'-P energy: -25.752
bonds (distance) P-C4' energy: -27.677
flat angles C4'-P-C4' energy: -27.585
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -44.051
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: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -407.790646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.790646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.790646 (E_RNA)
where:
Base-Base interactions energy: -270.314
where: short stacking energy: -123.887
Base-Backbone interact. energy: -0.673
local terms energy: -136.803096
where:
bonds (distance) C4'-P energy: -26.023
bonds (distance) P-C4' energy: -23.037
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -18.836
tors. eta vs tors. theta energy: -38.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -355.653896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.653896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.653896 (E_RNA)
where:
Base-Base interactions energy: -221.640
where: short stacking energy: -121.850
Base-Backbone interact. energy: -0.501
local terms energy: -133.512664
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -30.593
flat angles C4'-P-C4' energy: -30.843
flat angles P-C4'-P energy: -19.509
tors. eta vs tors. theta energy: -30.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -321.382290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.382290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.382290 (E_RNA)
where:
Base-Base interactions energy: -201.632
where: short stacking energy: -110.111
Base-Backbone interact. energy: -0.468
local terms energy: -119.282288
where:
bonds (distance) C4'-P energy: -24.099
bonds (distance) P-C4' energy: -26.507
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -16.892
tors. eta vs tors. theta energy: -28.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -252.345621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.345621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.345621 (E_RNA)
where:
Base-Base interactions energy: -156.933
where: short stacking energy: -85.502
Base-Backbone interact. energy: -0.565
local terms energy: -94.847216
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -16.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -193.206770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.206770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.206770 (E_RNA)
where:
Base-Base interactions energy: -99.849
where: short stacking energy: -72.129
Base-Backbone interact. energy: 0.171
local terms energy: -93.528218
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -25.535
flat angles P-C4'-P energy: -16.944
tors. eta vs tors. theta energy: -12.911
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: 55
Temperature: 1.200000
Total energy: -169.448922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.448922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.448922 (E_RNA)
where:
Base-Base interactions energy: -76.071
where: short stacking energy: -76.071
Base-Backbone interact. energy: 0.074
local terms energy: -93.451365
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -17.355
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: 8, replica: 3
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -156.798298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.798298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.798298 (E_RNA)
where:
Base-Base interactions energy: -68.262
where: short stacking energy: -63.284
Base-Backbone interact. energy: -0.125
local terms energy: -88.411529
where:
bonds (distance) C4'-P energy: -20.357
bonds (distance) P-C4' energy: -25.126
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -10.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -141.428907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.428907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.428907 (E_RNA)
where:
Base-Base interactions energy: -50.637
where: short stacking energy: -46.133
Base-Backbone interact. energy: -0.637
local terms energy: -90.154570
where:
bonds (distance) C4'-P energy: -21.368
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -27.321
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -112.803113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.803113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.803113 (E_RNA)
where:
Base-Base interactions energy: -39.857
where: short stacking energy: -38.404
Base-Backbone interact. energy: -0.358
local terms energy: -72.588685
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -8.654
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -416.834778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.834778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.834778 (E_RNA)
where:
Base-Base interactions energy: -277.654
where: short stacking energy: -142.415
Base-Backbone interact. energy: -0.040
local terms energy: -139.140281
where:
bonds (distance) C4'-P energy: -22.551
bonds (distance) P-C4' energy: -28.532
flat angles C4'-P-C4' energy: -24.856
flat angles P-C4'-P energy: -17.757
tors. eta vs tors. theta energy: -45.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -406.225481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.225481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.225481 (E_RNA)
where:
Base-Base interactions energy: -273.036
where: short stacking energy: -136.360
Base-Backbone interact. energy: -0.397
local terms energy: -132.792913
where:
bonds (distance) C4'-P energy: -23.487
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -28.419
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -36.407
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: 10
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -333.669066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.669066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.669066 (E_RNA)
where:
Base-Base interactions energy: -218.312
where: short stacking energy: -117.165
Base-Backbone interact. energy: -0.448
local terms energy: -114.909049
where:
bonds (distance) C4'-P energy: -24.265
bonds (distance) P-C4' energy: -19.318
flat angles C4'-P-C4' energy: -27.001
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -29.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -327.030888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.030888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.030888 (E_RNA)
where:
Base-Base interactions energy: -191.249
where: short stacking energy: -98.079
Base-Backbone interact. energy: -0.293
local terms energy: -135.488888
where:
bonds (distance) C4'-P energy: -30.256
bonds (distance) P-C4' energy: -29.257
flat angles C4'-P-C4' energy: -29.671
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: -27.944
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: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -274.119509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.119509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.119509 (E_RNA)
where:
Base-Base interactions energy: -162.166
where: short stacking energy: -99.239
Base-Backbone interact. energy: -1.822
local terms energy: -110.130629
where:
bonds (distance) C4'-P energy: -27.829
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -20.762
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -21.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -162.824671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.824671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.824671 (E_RNA)
where:
Base-Base interactions energy: -65.706
where: short stacking energy: -63.846
Base-Backbone interact. energy: -0.231
local terms energy: -96.887887
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -19.373
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: 7, replica: 3
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -150.862817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.862817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.862817 (E_RNA)
where:
Base-Base interactions energy: -53.425
where: short stacking energy: -53.425
Base-Backbone interact. energy: -0.140
local terms energy: -97.298036
where:
bonds (distance) C4'-P energy: -25.562
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -11.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -152.414439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.414439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.414439 (E_RNA)
where:
Base-Base interactions energy: -70.543
where: short stacking energy: -61.534
Base-Backbone interact. energy: -0.238
local terms energy: -81.633529
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -10.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -142.789628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.789628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.789628 (E_RNA)
where:
Base-Base interactions energy: -66.063
where: short stacking energy: -52.826
Base-Backbone interact. energy: -0.563
local terms energy: -76.163417
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -23.882
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -15.970
tors. eta vs tors. theta energy: 4.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -140.147851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.147851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.147851 (E_RNA)
where:
Base-Base interactions energy: -57.379
where: short stacking energy: -43.846
Base-Backbone interact. energy: -0.818
local terms energy: -81.950746
where:
bonds (distance) C4'-P energy: -23.168
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -24.800
flat angles P-C4'-P energy: -18.518
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -415.040078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.040078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.040078 (E_RNA)
where:
Base-Base interactions energy: -271.847
where: short stacking energy: -125.259
Base-Backbone interact. energy: -0.061
local terms energy: -143.132441
where:
bonds (distance) C4'-P energy: -26.455
bonds (distance) P-C4' energy: -29.307
flat angles C4'-P-C4' energy: -27.614
flat angles P-C4'-P energy: -21.751
tors. eta vs tors. theta energy: -38.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -404.333016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.333016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.333016 (E_RNA)
where:
Base-Base interactions energy: -258.967
where: short stacking energy: -134.114
Base-Backbone interact. energy: -1.780
local terms energy: -143.585381
where:
bonds (distance) C4'-P energy: -27.111
bonds (distance) P-C4' energy: -27.799
flat angles C4'-P-C4' energy: -28.968
flat angles P-C4'-P energy: -21.562
tors. eta vs tors. theta energy: -38.146
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: 3, replica: 10
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -346.154139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.154139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.154139 (E_RNA)
where:
Base-Base interactions energy: -224.862
where: short stacking energy: -113.126
Base-Backbone interact. energy: -0.221
local terms energy: -121.071389
where:
bonds (distance) C4'-P energy: -22.810
bonds (distance) P-C4' energy: -23.479
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -23.428
tors. eta vs tors. theta energy: -24.698
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: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -341.719595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.719595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.719595 (E_RNA)
where:
Base-Base interactions energy: -221.099
where: short stacking energy: -122.150
Base-Backbone interact. energy: -0.542
local terms energy: -120.077922
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -27.706
flat angles P-C4'-P energy: -15.310
tors. eta vs tors. theta energy: -32.780
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: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -265.729221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.729221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.729221 (E_RNA)
where:
Base-Base interactions energy: -149.955
where: short stacking energy: -82.077
Base-Backbone interact. energy: -0.278
local terms energy: -115.495975
where:
bonds (distance) C4'-P energy: -22.857
bonds (distance) P-C4' energy: -26.719
flat angles C4'-P-C4' energy: -27.171
flat angles P-C4'-P energy: -17.703
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -182.595054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.595054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.595054 (E_RNA)
where:
Base-Base interactions energy: -87.140
where: short stacking energy: -77.564
Base-Backbone interact. energy: -0.404
local terms energy: -95.051346
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -23.655
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -177.166604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.166604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.166604 (E_RNA)
where:
Base-Base interactions energy: -89.437
where: short stacking energy: -56.034
Base-Backbone interact. energy: 0.067
local terms energy: -87.796579
where:
bonds (distance) C4'-P energy: -21.077
bonds (distance) P-C4' energy: -24.959
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -12.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -155.343873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.343873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.343873 (E_RNA)
where:
Base-Base interactions energy: -68.565
where: short stacking energy: -53.132
Base-Backbone interact. energy: -0.306
local terms energy: -86.472822
where:
bonds (distance) C4'-P energy: -23.614
bonds (distance) P-C4' energy: -27.223
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -2.420
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: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -135.159529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.159529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.159529 (E_RNA)
where:
Base-Base interactions energy: -48.510
where: short stacking energy: -47.073
Base-Backbone interact. energy: -0.120
local terms energy: -86.529640
where:
bonds (distance) C4'-P energy: -26.248
bonds (distance) P-C4' energy: -20.944
flat angles C4'-P-C4' energy: -20.915
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -122.964762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.964762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.964762 (E_RNA)
where:
Base-Base interactions energy: -44.461
where: short stacking energy: -44.438
Base-Backbone interact. energy: 0.030
local terms energy: -78.533665
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -29.820
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -13.215
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -420.144420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.144420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.144420 (E_RNA)
where:
Base-Base interactions energy: -269.340
where: short stacking energy: -138.207
Base-Backbone interact. energy: -0.587
local terms energy: -150.217126
where:
bonds (distance) C4'-P energy: -27.860
bonds (distance) P-C4' energy: -26.395
flat angles C4'-P-C4' energy: -30.655
flat angles P-C4'-P energy: -21.388
tors. eta vs tors. theta energy: -43.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -407.401042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.401042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.401042 (E_RNA)
where:
Base-Base interactions energy: -264.115
where: short stacking energy: -131.590
Base-Backbone interact. energy: -1.382
local terms energy: -141.904657
where:
bonds (distance) C4'-P energy: -28.210
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -28.792
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -38.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -359.214436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.214436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.214436 (E_RNA)
where:
Base-Base interactions energy: -223.263
where: short stacking energy: -126.982
Base-Backbone interact. energy: -0.251
local terms energy: -135.700283
where:
bonds (distance) C4'-P energy: -28.216
bonds (distance) P-C4' energy: -22.375
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: -35.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -367.434506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.434506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.434506 (E_RNA)
where:
Base-Base interactions energy: -239.428
where: short stacking energy: -123.234
Base-Backbone interact. energy: -1.323
local terms energy: -126.683388
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -25.673
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: -31.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -250.484991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.484991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.484991 (E_RNA)
where:
Base-Base interactions energy: -137.729
where: short stacking energy: -80.958
Base-Backbone interact. energy: -0.250
local terms energy: -112.506027
where:
bonds (distance) C4'-P energy: -26.695
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -22.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -174.787587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.787587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.787587 (E_RNA)
where:
Base-Base interactions energy: -69.257
where: short stacking energy: -69.257
Base-Backbone interact. energy: -0.152
local terms energy: -105.378078
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -27.654
flat angles C4'-P-C4' energy: -27.731
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -191.183090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.183090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.183090 (E_RNA)
where:
Base-Base interactions energy: -99.474
where: short stacking energy: -63.416
Base-Backbone interact. energy: -0.085
local terms energy: -91.623519
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -26.834
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -12.313
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: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -168.567844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.567844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.567844 (E_RNA)
where:
Base-Base interactions energy: -79.135
where: short stacking energy: -53.244
Base-Backbone interact. energy: 1.403
local terms energy: -90.836034
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -9.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -147.378877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.378877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.378877 (E_RNA)
where:
Base-Base interactions energy: -67.475
where: short stacking energy: -56.247
Base-Backbone interact. energy: 1.290
local terms energy: -81.193506
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -27.806
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -113.039051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.039051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.039051 (E_RNA)
where:
Base-Base interactions energy: -35.992
where: short stacking energy: -21.759
Base-Backbone interact. energy: -0.878
local terms energy: -76.169942
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: 4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -413.073232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.073232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.073232 (E_RNA)
where:
Base-Base interactions energy: -265.033
where: short stacking energy: -142.246
Base-Backbone interact. energy: -0.528
local terms energy: -147.512269
where:
bonds (distance) C4'-P energy: -26.645
bonds (distance) P-C4' energy: -30.089
flat angles C4'-P-C4' energy: -30.026
flat angles P-C4'-P energy: -18.340
tors. eta vs tors. theta energy: -42.411
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: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -399.205775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.205775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.205775 (E_RNA)
where:
Base-Base interactions energy: -258.341
where: short stacking energy: -116.955
Base-Backbone interact. energy: -1.732
local terms energy: -139.132440
where:
bonds (distance) C4'-P energy: -25.350
bonds (distance) P-C4' energy: -24.469
flat angles C4'-P-C4' energy: -28.270
flat angles P-C4'-P energy: -21.843
tors. eta vs tors. theta energy: -39.200
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: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -350.077205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.077205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.077205 (E_RNA)
where:
Base-Base interactions energy: -224.953
where: short stacking energy: -123.046
Base-Backbone interact. energy: -0.080
local terms energy: -125.045008
where:
bonds (distance) C4'-P energy: -29.831
bonds (distance) P-C4' energy: -22.255
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -36.928
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: 10
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -365.807814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.807814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.807814 (E_RNA)
where:
Base-Base interactions energy: -241.840
where: short stacking energy: -127.596
Base-Backbone interact. energy: -0.262
local terms energy: -123.705821
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -24.286
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -35.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -261.111369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.111369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.111369 (E_RNA)
where:
Base-Base interactions energy: -156.594
where: short stacking energy: -90.565
Base-Backbone interact. energy: -0.913
local terms energy: -103.603930
where:
bonds (distance) C4'-P energy: -23.882
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -28.153
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -192.916195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.916195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.916195 (E_RNA)
where:
Base-Base interactions energy: -93.044
where: short stacking energy: -77.074
Base-Backbone interact. energy: -0.451
local terms energy: -99.421240
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -27.264
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -17.887
tors. eta vs tors. theta energy: -15.177
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: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -148.061760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.061760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.061760 (E_RNA)
where:
Base-Base interactions energy: -53.381
where: short stacking energy: -53.005
Base-Backbone interact. energy: -0.638
local terms energy: -94.042953
where:
bonds (distance) C4'-P energy: -22.880
bonds (distance) P-C4' energy: -25.182
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -144.313156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.313156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.313156 (E_RNA)
where:
Base-Base interactions energy: -51.780
where: short stacking energy: -52.459
Base-Backbone interact. energy: -1.913
local terms energy: -90.621021
where:
bonds (distance) C4'-P energy: -24.356
bonds (distance) P-C4' energy: -25.925
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -7.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -165.473851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.473851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.473851 (E_RNA)
where:
Base-Base interactions energy: -66.830
where: short stacking energy: -67.873
Base-Backbone interact. energy: -0.930
local terms energy: -97.714125
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -25.678
flat angles P-C4'-P energy: -18.636
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: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -123.154198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.154198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.154198 (E_RNA)
where:
Base-Base interactions energy: -38.299
where: short stacking energy: -37.652
Base-Backbone interact. energy: -0.192
local terms energy: -84.663064
where:
bonds (distance) C4'-P energy: -26.241
bonds (distance) P-C4' energy: -26.531
flat angles C4'-P-C4' energy: -22.342
flat angles P-C4'-P energy: -9.907
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -404.361250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.361250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.361250 (E_RNA)
where:
Base-Base interactions energy: -257.109
where: short stacking energy: -125.842
Base-Backbone interact. energy: -0.858
local terms energy: -146.394813
where:
bonds (distance) C4'-P energy: -27.378
bonds (distance) P-C4' energy: -29.093
flat angles C4'-P-C4' energy: -30.676
flat angles P-C4'-P energy: -19.684
tors. eta vs tors. theta energy: -39.564
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: 60
Temperature: 0.950000
Total energy: -407.774377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.774377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.774377 (E_RNA)
where:
Base-Base interactions energy: -269.577
where: short stacking energy: -140.588
Base-Backbone interact. energy: -0.663
local terms energy: -137.534276
where:
bonds (distance) C4'-P energy: -22.791
bonds (distance) P-C4' energy: -26.137
flat angles C4'-P-C4' energy: -27.569
flat angles P-C4'-P energy: -20.648
tors. eta vs tors. theta energy: -40.389
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: 3, replica: 10
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -356.023106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.023106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.023106 (E_RNA)
where:
Base-Base interactions energy: -225.908
where: short stacking energy: -120.795
Base-Backbone interact. energy: -0.528
local terms energy: -129.587599
where:
bonds (distance) C4'-P energy: -26.740
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -27.416
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -34.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -343.338457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.338457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.338457 (E_RNA)
where:
Base-Base interactions energy: -212.374
where: short stacking energy: -120.067
Base-Backbone interact. energy: -0.098
local terms energy: -130.867011
where:
bonds (distance) C4'-P energy: -24.845
bonds (distance) P-C4' energy: -27.021
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -20.343
tors. eta vs tors. theta energy: -35.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -278.352646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.352646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.352646 (E_RNA)
where:
Base-Base interactions energy: -162.961
where: short stacking energy: -93.268
Base-Backbone interact. energy: -0.584
local terms energy: -114.807595
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -26.578
flat angles C4'-P-C4' energy: -29.528
flat angles P-C4'-P energy: -18.883
tors. eta vs tors. theta energy: -19.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -178.572214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.572214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.572214 (E_RNA)
where:
Base-Base interactions energy: -106.624
where: short stacking energy: -61.443
Base-Backbone interact. energy: -0.595
local terms energy: -71.353238
where:
bonds (distance) C4'-P energy: -18.767
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -11.736
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: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -177.752715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.752715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.752715 (E_RNA)
where:
Base-Base interactions energy: -81.088
where: short stacking energy: -80.606
Base-Backbone interact. energy: -0.104
local terms energy: -96.561052
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -28.020
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -17.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -178.966792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.966792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.966792 (E_RNA)
where:
Base-Base interactions energy: -76.122
where: short stacking energy: -63.225
Base-Backbone interact. energy: -0.195
local terms energy: -102.649776
where:
bonds (distance) C4'-P energy: -22.383
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -24.516
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -128.601093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.601093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.601093 (E_RNA)
where:
Base-Base interactions energy: -68.524
where: short stacking energy: -45.981
Base-Backbone interact. energy: 0.648
local terms energy: -60.724588
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -13.368
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: 10, replica: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -134.507021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.507021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.507021 (E_RNA)
where:
Base-Base interactions energy: -49.996
where: short stacking energy: -33.296
Base-Backbone interact. energy: -0.603
local terms energy: -83.907657
where:
bonds (distance) C4'-P energy: -25.034
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -13.191
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -404.175780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.175780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.175780 (E_RNA)
where:
Base-Base interactions energy: -261.781
where: short stacking energy: -128.745
Base-Backbone interact. energy: -1.321
local terms energy: -141.073571
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -27.748
flat angles C4'-P-C4' energy: -29.657
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -33.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -403.392415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.392415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.392415 (E_RNA)
where:
Base-Base interactions energy: -257.020
where: short stacking energy: -138.207
Base-Backbone interact. energy: -0.405
local terms energy: -145.967701
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -27.798
flat angles C4'-P-C4' energy: -32.029
flat angles P-C4'-P energy: -24.060
tors. eta vs tors. theta energy: -38.618
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: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -394.080235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.080235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.080235 (E_RNA)
where:
Base-Base interactions energy: -253.979
where: short stacking energy: -130.843
Base-Backbone interact. energy: -0.872
local terms energy: -139.230180
where:
bonds (distance) C4'-P energy: -26.666
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -21.526
tors. eta vs tors. theta energy: -40.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -348.242253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.242253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.242253 (E_RNA)
where:
Base-Base interactions energy: -220.218
where: short stacking energy: -126.304
Base-Backbone interact. energy: -0.323
local terms energy: -127.701189
where:
bonds (distance) C4'-P energy: -26.802
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -26.499
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -34.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -261.694829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.694829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.694829 (E_RNA)
where:
Base-Base interactions energy: -155.895
where: short stacking energy: -85.301
Base-Backbone interact. energy: -0.144
local terms energy: -105.656226
where:
bonds (distance) C4'-P energy: -25.387
bonds (distance) P-C4' energy: -27.253
flat angles C4'-P-C4' energy: -25.896
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -10.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -169.613650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.613650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.613650 (E_RNA)
where:
Base-Base interactions energy: -84.254
where: short stacking energy: -76.406
Base-Backbone interact. energy: 1.677
local terms energy: -87.036647
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -20.891
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -11.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -173.423832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.423832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.423832 (E_RNA)
where:
Base-Base interactions energy: -87.661
where: short stacking energy: -63.628
Base-Backbone interact. energy: 2.022
local terms energy: -87.785021
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -24.664
flat angles C4'-P-C4' energy: -22.628
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -149.858439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.858439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.858439 (E_RNA)
where:
Base-Base interactions energy: -66.300
where: short stacking energy: -48.390
Base-Backbone interact. energy: 0.223
local terms energy: -83.782151
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -22.451
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -12.364
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: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -117.714651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.714651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.714651 (E_RNA)
where:
Base-Base interactions energy: -48.468
where: short stacking energy: -43.911
Base-Backbone interact. energy: 0.826
local terms energy: -70.072679
where:
bonds (distance) C4'-P energy: -21.480
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -14.047
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: 10, replica: 8
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -134.394725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.394725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.394725 (E_RNA)
where:
Base-Base interactions energy: -51.733
where: short stacking energy: -51.009
Base-Backbone interact. energy: -0.251
local terms energy: -82.410267
where:
bonds (distance) C4'-P energy: -24.193
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -1.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -401.809336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.809336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.809336 (E_RNA)
where:
Base-Base interactions energy: -251.343
where: short stacking energy: -135.657
Base-Backbone interact. energy: -1.656
local terms energy: -148.809516
where:
bonds (distance) C4'-P energy: -25.912
bonds (distance) P-C4' energy: -29.583
flat angles C4'-P-C4' energy: -28.697
flat angles P-C4'-P energy: -24.018
tors. eta vs tors. theta energy: -40.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -394.331315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.331315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.331315 (E_RNA)
where:
Base-Base interactions energy: -259.669
where: short stacking energy: -116.493
Base-Backbone interact. energy: 1.073
local terms energy: -135.735185
where:
bonds (distance) C4'-P energy: -28.080
bonds (distance) P-C4' energy: -26.121
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -21.443
tors. eta vs tors. theta energy: -33.210
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: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -384.745877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.745877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.745877 (E_RNA)
where:
Base-Base interactions energy: -245.383
where: short stacking energy: -132.298
Base-Backbone interact. energy: -0.541
local terms energy: -138.821398
where:
bonds (distance) C4'-P energy: -25.418
bonds (distance) P-C4' energy: -29.153
flat angles C4'-P-C4' energy: -26.819
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -37.017
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: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -346.598264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.598264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.598264 (E_RNA)
where:
Base-Base interactions energy: -219.715
where: short stacking energy: -117.328
Base-Backbone interact. energy: -1.524
local terms energy: -125.359542
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -23.686
flat angles P-C4'-P energy: -21.430
tors. eta vs tors. theta energy: -29.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -271.474773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.474773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.474773 (E_RNA)
where:
Base-Base interactions energy: -167.705
where: short stacking energy: -92.517
Base-Backbone interact. energy: -0.962
local terms energy: -102.807617
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -26.352
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -19.310
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: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -171.563215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.563215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.563215 (E_RNA)
where:
Base-Base interactions energy: -72.899
where: short stacking energy: -60.556
Base-Backbone interact. energy: -1.142
local terms energy: -97.522861
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -25.980
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -21.733
tors. eta vs tors. theta energy: -9.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -171.671238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.671238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.671238 (E_RNA)
where:
Base-Base interactions energy: -95.059
where: short stacking energy: -59.132
Base-Backbone interact. energy: -1.827
local terms energy: -74.785692
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -11.602
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: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -152.758329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.758329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.758329 (E_RNA)
where:
Base-Base interactions energy: -67.810
where: short stacking energy: -58.973
Base-Backbone interact. energy: 0.451
local terms energy: -85.399658
where:
bonds (distance) C4'-P energy: -26.964
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -127.726690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.726690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.726690 (E_RNA)
where:
Base-Base interactions energy: -47.634
where: short stacking energy: -37.880
Base-Backbone interact. energy: -0.418
local terms energy: -79.674045
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -21.036
flat angles C4'-P-C4' energy: -24.534
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: 0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -127.543666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.543666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.543666 (E_RNA)
where:
Base-Base interactions energy: -57.594
where: short stacking energy: -50.052
Base-Backbone interact. energy: 1.356
local terms energy: -71.305930
where:
bonds (distance) C4'-P energy: -23.254
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -389.849063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.849063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.849063 (E_RNA)
where:
Base-Base interactions energy: -252.536
where: short stacking energy: -134.488
Base-Backbone interact. energy: -0.173
local terms energy: -137.140070
where:
bonds (distance) C4'-P energy: -25.294
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -39.255
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: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -388.559714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.559714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.559714 (E_RNA)
where:
Base-Base interactions energy: -256.624
where: short stacking energy: -130.106
Base-Backbone interact. energy: -1.278
local terms energy: -130.658059
where:
bonds (distance) C4'-P energy: -20.209
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -29.066
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -42.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -369.635285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.635285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.635285 (E_RNA)
where:
Base-Base interactions energy: -247.962
where: short stacking energy: -119.770
Base-Backbone interact. energy: -0.377
local terms energy: -121.296040
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -23.376
tors. eta vs tors. theta energy: -32.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -334.691039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.691039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.691039 (E_RNA)
where:
Base-Base interactions energy: -211.209
where: short stacking energy: -116.767
Base-Backbone interact. energy: -2.047
local terms energy: -121.434205
where:
bonds (distance) C4'-P energy: -23.073
bonds (distance) P-C4' energy: -25.480
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -19.099
tors. eta vs tors. theta energy: -29.203
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: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -282.219101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.219101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.219101 (E_RNA)
where:
Base-Base interactions energy: -175.669
where: short stacking energy: -109.863
Base-Backbone interact. energy: -0.090
local terms energy: -106.460199
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -25.591
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -26.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -181.715501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.715501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.715501 (E_RNA)
where:
Base-Base interactions energy: -81.149
where: short stacking energy: -80.736
Base-Backbone interact. energy: -0.291
local terms energy: -100.275698
where:
bonds (distance) C4'-P energy: -24.575
bonds (distance) P-C4' energy: -25.425
flat angles C4'-P-C4' energy: -24.680
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -157.274770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.274770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.274770 (E_RNA)
where:
Base-Base interactions energy: -76.067
where: short stacking energy: -66.677
Base-Backbone interact. energy: -0.054
local terms energy: -81.153377
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -27.465
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -17.829
tors. eta vs tors. theta energy: -6.010
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: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -134.687938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.687938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.687938 (E_RNA)
where:
Base-Base interactions energy: -43.691
where: short stacking energy: -43.691
Base-Backbone interact. energy: -0.856
local terms energy: -90.140680
where:
bonds (distance) C4'-P energy: -22.730
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -28.082
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: 0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -138.020449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.020449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.020449 (E_RNA)
where:
Base-Base interactions energy: -54.359
where: short stacking energy: -53.949
Base-Backbone interact. energy: 1.748
local terms energy: -85.409574
where:
bonds (distance) C4'-P energy: -27.270
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -16.951
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -132.382284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.382284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.382284 (E_RNA)
where:
Base-Base interactions energy: -52.189
where: short stacking energy: -37.625
Base-Backbone interact. energy: -2.618
local terms energy: -77.575710
where:
bonds (distance) C4'-P energy: -22.829
bonds (distance) P-C4' energy: -28.557
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -5.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -408.048789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.048789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.048789 (E_RNA)
where:
Base-Base interactions energy: -261.544
where: short stacking energy: -140.127
Base-Backbone interact. energy: -1.274
local terms energy: -145.230427
where:
bonds (distance) C4'-P energy: -29.266
bonds (distance) P-C4' energy: -26.595
flat angles C4'-P-C4' energy: -28.578
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -41.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -392.588167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.588167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.588167 (E_RNA)
where:
Base-Base interactions energy: -258.726
where: short stacking energy: -139.019
Base-Backbone interact. energy: -0.871
local terms energy: -132.991885
where:
bonds (distance) C4'-P energy: -23.801
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -30.260
flat angles P-C4'-P energy: -23.140
tors. eta vs tors. theta energy: -39.205
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: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -376.878294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.878294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.878294 (E_RNA)
where:
Base-Base interactions energy: -250.071
where: short stacking energy: -123.167
Base-Backbone interact. energy: -0.062
local terms energy: -126.745759
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -26.143
flat angles P-C4'-P energy: -21.446
tors. eta vs tors. theta energy: -33.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -344.848805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.848805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.848805 (E_RNA)
where:
Base-Base interactions energy: -218.068
where: short stacking energy: -117.201
Base-Backbone interact. energy: -2.269
local terms energy: -124.511989
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -27.839
flat angles P-C4'-P energy: -20.649
tors. eta vs tors. theta energy: -33.737
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: 7
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -278.702283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.702283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.702283 (E_RNA)
where:
Base-Base interactions energy: -171.644
where: short stacking energy: -91.245
Base-Backbone interact. energy: -0.750
local terms energy: -106.308387
where:
bonds (distance) C4'-P energy: -26.364
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -16.962
tors. eta vs tors. theta energy: -22.903
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: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -166.509706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.509706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.509706 (E_RNA)
where:
Base-Base interactions energy: -78.942
where: short stacking energy: -67.639
Base-Backbone interact. energy: -0.282
local terms energy: -87.286004
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -18.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -151.980667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.980667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.980667 (E_RNA)
where:
Base-Base interactions energy: -70.671
where: short stacking energy: -60.003
Base-Backbone interact. energy: -0.387
local terms energy: -80.922515
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -25.399
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -16.437
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: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -147.259472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.259472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.259472 (E_RNA)
where:
Base-Base interactions energy: -72.331
where: short stacking energy: -46.550
Base-Backbone interact. energy: -0.553
local terms energy: -74.375151
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -22.168
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -17.187
tors. eta vs tors. theta energy: -1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -136.955099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.955099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.955099 (E_RNA)
where:
Base-Base interactions energy: -51.720
where: short stacking energy: -51.720
Base-Backbone interact. energy: -0.202
local terms energy: -85.032331
where:
bonds (distance) C4'-P energy: -22.903
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -20.239
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -140.397819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.397819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.397819 (E_RNA)
where:
Base-Base interactions energy: -58.466
where: short stacking energy: -48.446
Base-Backbone interact. energy: -0.216
local terms energy: -81.716152
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -426.845147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.845147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.845147 (E_RNA)
where:
Base-Base interactions energy: -274.285
where: short stacking energy: -132.803
Base-Backbone interact. energy: -0.055
local terms energy: -152.505732
where:
bonds (distance) C4'-P energy: -26.582
bonds (distance) P-C4' energy: -28.695
flat angles C4'-P-C4' energy: -29.918
flat angles P-C4'-P energy: -21.871
tors. eta vs tors. theta energy: -45.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -398.642416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.642416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.642416 (E_RNA)
where:
Base-Base interactions energy: -259.562
where: short stacking energy: -126.582
Base-Backbone interact. energy: -0.630
local terms energy: -138.449763
where:
bonds (distance) C4'-P energy: -25.917
bonds (distance) P-C4' energy: -28.766
flat angles C4'-P-C4' energy: -26.715
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: -38.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -367.703567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.703567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.703567 (E_RNA)
where:
Base-Base interactions energy: -233.939
where: short stacking energy: -127.671
Base-Backbone interact. energy: -0.520
local terms energy: -133.243904
where:
bonds (distance) C4'-P energy: -23.928
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -29.254
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -35.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -329.815554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.815554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.815554 (E_RNA)
where:
Base-Base interactions energy: -199.792
where: short stacking energy: -114.005
Base-Backbone interact. energy: -0.472
local terms energy: -129.551689
where:
bonds (distance) C4'-P energy: -27.474
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -25.667
flat angles P-C4'-P energy: -23.849
tors. eta vs tors. theta energy: -29.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -283.709441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.709441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.709441 (E_RNA)
where:
Base-Base interactions energy: -169.562
where: short stacking energy: -89.824
Base-Backbone interact. energy: -0.708
local terms energy: -113.439555
where:
bonds (distance) C4'-P energy: -23.404
bonds (distance) P-C4' energy: -30.085
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -15.115
tors. eta vs tors. theta energy: -24.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -172.601763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.601763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.601763 (E_RNA)
where:
Base-Base interactions energy: -75.761
where: short stacking energy: -71.176
Base-Backbone interact. energy: 0.686
local terms energy: -97.526437
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -26.287
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: -12.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -156.076262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.076262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.076262 (E_RNA)
where:
Base-Base interactions energy: -64.793
where: short stacking energy: -56.998
Base-Backbone interact. energy: -0.121
local terms energy: -91.161936
where:
bonds (distance) C4'-P energy: -26.844
bonds (distance) P-C4' energy: -21.247
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -178.943071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.943071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.943071 (E_RNA)
where:
Base-Base interactions energy: -84.757
where: short stacking energy: -63.285
Base-Backbone interact. energy: 2.016
local terms energy: -96.202677
where:
bonds (distance) C4'-P energy: -25.779
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -11.797
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: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -140.743558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.743558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.743558 (E_RNA)
where:
Base-Base interactions energy: -61.916
where: short stacking energy: -53.069
Base-Backbone interact. energy: -0.135
local terms energy: -78.692971
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -20.891
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -6.852
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: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -136.220018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.220018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.220018 (E_RNA)
where:
Base-Base interactions energy: -61.978
where: short stacking energy: -59.043
Base-Backbone interact. energy: 0.273
local terms energy: -74.515523
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -23.065
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -10.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -426.802167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.802167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.802167 (E_RNA)
where:
Base-Base interactions energy: -285.307
where: short stacking energy: -132.683
Base-Backbone interact. energy: -1.448
local terms energy: -140.047398
where:
bonds (distance) C4'-P energy: -26.021
bonds (distance) P-C4' energy: -27.015
flat angles C4'-P-C4' energy: -24.955
flat angles P-C4'-P energy: -19.111
tors. eta vs tors. theta energy: -42.946
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: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -400.979140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.979140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.979140 (E_RNA)
where:
Base-Base interactions energy: -263.079
where: short stacking energy: -128.518
Base-Backbone interact. energy: -0.622
local terms energy: -137.278558
where:
bonds (distance) C4'-P energy: -26.512
bonds (distance) P-C4' energy: -25.131
flat angles C4'-P-C4' energy: -29.692
flat angles P-C4'-P energy: -22.621
tors. eta vs tors. theta energy: -33.322
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: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -379.052074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.052074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.052074 (E_RNA)
where:
Base-Base interactions energy: -243.613
where: short stacking energy: -127.446
Base-Backbone interact. energy: -2.055
local terms energy: -133.383551
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -25.661
flat angles C4'-P-C4' energy: -29.338
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -38.059
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: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -334.475654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.475654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.475654 (E_RNA)
where:
Base-Base interactions energy: -212.348
where: short stacking energy: -108.187
Base-Backbone interact. energy: -0.072
local terms energy: -122.055756
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -24.574
flat angles C4'-P-C4' energy: -26.970
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: -30.330
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: 5, replica: 7
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -286.632522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.632522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.632522 (E_RNA)
where:
Base-Base interactions energy: -177.885
where: short stacking energy: -84.314
Base-Backbone interact. energy: -1.641
local terms energy: -107.106651
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -25.628
flat angles C4'-P-C4' energy: -25.446
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -18.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -140.359971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.359971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.359971 (E_RNA)
where:
Base-Base interactions energy: -50.707
where: short stacking energy: -49.857
Base-Backbone interact. energy: -0.148
local terms energy: -89.504828
where:
bonds (distance) C4'-P energy: -23.604
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -24.482
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -206.717708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.717708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.717708 (E_RNA)
where:
Base-Base interactions energy: -110.930
where: short stacking energy: -70.756
Base-Backbone interact. energy: -0.480
local terms energy: -95.307477
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -28.689
flat angles C4'-P-C4' energy: -24.784
flat angles P-C4'-P energy: -11.051
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: 8, replica: 3
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -142.255100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.255100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.255100 (E_RNA)
where:
Base-Base interactions energy: -63.841
where: short stacking energy: -62.341
Base-Backbone interact. energy: -0.566
local terms energy: -77.847998
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -11.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -125.478707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.478707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.478707 (E_RNA)
where:
Base-Base interactions energy: -46.027
where: short stacking energy: -46.327
Base-Backbone interact. energy: -1.508
local terms energy: -77.943767
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -130.216097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.216097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.216097 (E_RNA)
where:
Base-Base interactions energy: -56.400
where: short stacking energy: -54.714
Base-Backbone interact. energy: -0.254
local terms energy: -73.562054
where:
bonds (distance) C4'-P energy: -25.086
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -5.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -413.825015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.825015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.825015 (E_RNA)
where:
Base-Base interactions energy: -278.896
where: short stacking energy: -136.124
Base-Backbone interact. energy: -0.050
local terms energy: -134.878725
where:
bonds (distance) C4'-P energy: -27.880
bonds (distance) P-C4' energy: -24.789
flat angles C4'-P-C4' energy: -28.042
flat angles P-C4'-P energy: -18.023
tors. eta vs tors. theta energy: -36.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -411.498182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.498182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.498182 (E_RNA)
where:
Base-Base interactions energy: -274.484
where: short stacking energy: -129.659
Base-Backbone interact. energy: -1.054
local terms energy: -135.960462
where:
bonds (distance) C4'-P energy: -27.983
bonds (distance) P-C4' energy: -22.079
flat angles C4'-P-C4' energy: -28.976
flat angles P-C4'-P energy: -18.976
tors. eta vs tors. theta energy: -37.947
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: 3, replica: 10
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -348.321210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.321210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.321210 (E_RNA)
where:
Base-Base interactions energy: -215.353
where: short stacking energy: -118.931
Base-Backbone interact. energy: -1.794
local terms energy: -131.174368
where:
bonds (distance) C4'-P energy: -23.930
bonds (distance) P-C4' energy: -27.044
flat angles C4'-P-C4' energy: -27.081
flat angles P-C4'-P energy: -18.659
tors. eta vs tors. theta energy: -34.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -351.498362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.498362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.498362 (E_RNA)
where:
Base-Base interactions energy: -217.997
where: short stacking energy: -120.636
Base-Backbone interact. energy: -1.884
local terms energy: -131.617069
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -28.720
flat angles C4'-P-C4' energy: -26.086
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -34.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -299.292371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.292371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.292371 (E_RNA)
where:
Base-Base interactions energy: -184.732
where: short stacking energy: -96.824
Base-Backbone interact. energy: -1.518
local terms energy: -113.042272
where:
bonds (distance) C4'-P energy: -25.457
bonds (distance) P-C4' energy: -26.677
flat angles C4'-P-C4' energy: -25.912
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -20.182
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: 67
Temperature: 1.150000
Total energy: -271.667948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.667948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.667948 (E_RNA)
where:
Base-Base interactions energy: -167.403
where: short stacking energy: -85.283
Base-Backbone interact. energy: 0.317
local terms energy: -104.581030
where:
bonds (distance) C4'-P energy: -25.462
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -156.766828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.766828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.766828 (E_RNA)
where:
Base-Base interactions energy: -64.942
where: short stacking energy: -60.451
Base-Backbone interact. energy: -0.453
local terms energy: -91.372155
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -24.700
flat angles C4'-P-C4' energy: -22.857
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -9.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -150.652736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.652736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.652736 (E_RNA)
where:
Base-Base interactions energy: -61.585
where: short stacking energy: -48.274
Base-Backbone interact. energy: -0.411
local terms energy: -88.657444
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -126.665562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.665562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.665562 (E_RNA)
where:
Base-Base interactions energy: -41.724
where: short stacking energy: -41.724
Base-Backbone interact. energy: -0.380
local terms energy: -84.560767
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -22.055
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: -3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -121.730281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.730281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.730281 (E_RNA)
where:
Base-Base interactions energy: -43.909
where: short stacking energy: -42.292
Base-Backbone interact. energy: 0.989
local terms energy: -78.809683
where:
bonds (distance) C4'-P energy: -24.185
bonds (distance) P-C4' energy: -26.943
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: 3.636
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -412.219689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.219689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.219689 (E_RNA)
where:
Base-Base interactions energy: -281.587
where: short stacking energy: -132.712
Base-Backbone interact. energy: -0.861
local terms energy: -129.771678
where:
bonds (distance) C4'-P energy: -25.422
bonds (distance) P-C4' energy: -28.854
flat angles C4'-P-C4' energy: -26.016
flat angles P-C4'-P energy: -20.821
tors. eta vs tors. theta energy: -28.660
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: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -405.816276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.816276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.816276 (E_RNA)
where:
Base-Base interactions energy: -266.848
where: short stacking energy: -129.130
Base-Backbone interact. energy: -0.798
local terms energy: -138.170598
where:
bonds (distance) C4'-P energy: -23.404
bonds (distance) P-C4' energy: -26.876
flat angles C4'-P-C4' energy: -27.288
flat angles P-C4'-P energy: -19.229
tors. eta vs tors. theta energy: -41.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -367.215111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.215111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.215111 (E_RNA)
where:
Base-Base interactions energy: -220.219
where: short stacking energy: -117.197
Base-Backbone interact. energy: -0.757
local terms energy: -146.238971
where:
bonds (distance) C4'-P energy: -23.877
bonds (distance) P-C4' energy: -30.408
flat angles C4'-P-C4' energy: -31.059
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: -40.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -312.547237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.547237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.547237 (E_RNA)
where:
Base-Base interactions energy: -203.879
where: short stacking energy: -108.302
Base-Backbone interact. energy: -0.747
local terms energy: -107.921594
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -27.791
flat angles C4'-P-C4' energy: -25.800
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -21.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -321.166732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.166732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.166732 (E_RNA)
where:
Base-Base interactions energy: -200.832
where: short stacking energy: -109.115
Base-Backbone interact. energy: -0.157
local terms energy: -120.178077
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -28.463
flat angles C4'-P-C4' energy: -27.265
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -26.809
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: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -266.199992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.199992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.199992 (E_RNA)
where:
Base-Base interactions energy: -158.888
where: short stacking energy: -87.839
Base-Backbone interact. energy: -0.274
local terms energy: -107.037790
where:
bonds (distance) C4'-P energy: -21.906
bonds (distance) P-C4' energy: -24.522
flat angles C4'-P-C4' energy: -27.841
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -22.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -148.820607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.820607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.820607 (E_RNA)
where:
Base-Base interactions energy: -66.405
where: short stacking energy: -65.586
Base-Backbone interact. energy: -1.369
local terms energy: -81.046478
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -25.976
flat angles P-C4'-P energy: -16.260
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: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -146.784525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.784525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.784525 (E_RNA)
where:
Base-Base interactions energy: -71.460
where: short stacking energy: -71.460
Base-Backbone interact. energy: -0.542
local terms energy: -74.782872
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -26.449
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -9.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -128.722043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.722043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.722043 (E_RNA)
where:
Base-Base interactions energy: -50.009
where: short stacking energy: -50.009
Base-Backbone interact. energy: -0.843
local terms energy: -77.870117
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -25.284
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -10.991
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: 10, replica: 3
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -123.039801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.039801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.039801 (E_RNA)
where:
Base-Base interactions energy: -44.925
where: short stacking energy: -38.629
Base-Backbone interact. energy: 0.039
local terms energy: -78.154297
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -25.090
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -19.939
tors. eta vs tors. theta energy: 2.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -426.669375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.669375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.669375 (E_RNA)
where:
Base-Base interactions energy: -279.475
where: short stacking energy: -131.890
Base-Backbone interact. energy: -0.900
local terms energy: -146.294548
where:
bonds (distance) C4'-P energy: -25.863
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -32.357
flat angles P-C4'-P energy: -20.783
tors. eta vs tors. theta energy: -39.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -404.084612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.084612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.084612 (E_RNA)
where:
Base-Base interactions energy: -258.140
where: short stacking energy: -128.259
Base-Backbone interact. energy: -0.238
local terms energy: -145.706419
where:
bonds (distance) C4'-P energy: -28.381
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -27.763
flat angles P-C4'-P energy: -21.630
tors. eta vs tors. theta energy: -40.391
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: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -353.434009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.434009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.434009 (E_RNA)
where:
Base-Base interactions energy: -224.256
where: short stacking energy: -119.103
Base-Backbone interact. energy: -0.288
local terms energy: -128.889924
where:
bonds (distance) C4'-P energy: -23.152
bonds (distance) P-C4' energy: -28.572
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -35.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -316.749098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.749098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.749098 (E_RNA)
where:
Base-Base interactions energy: -205.882
where: short stacking energy: -116.705
Base-Backbone interact. energy: 3.328
local terms energy: -114.195700
where:
bonds (distance) C4'-P energy: -23.020
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -22.605
flat angles P-C4'-P energy: -18.544
tors. eta vs tors. theta energy: -26.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -269.331153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.331153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.331153 (E_RNA)
where:
Base-Base interactions energy: -159.649
where: short stacking energy: -78.306
Base-Backbone interact. energy: -1.020
local terms energy: -108.662291
where:
bonds (distance) C4'-P energy: -25.450
bonds (distance) P-C4' energy: -30.322
flat angles C4'-P-C4' energy: -21.655
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -18.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -247.427219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.427219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.427219 (E_RNA)
where:
Base-Base interactions energy: -144.980
where: short stacking energy: -81.108
Base-Backbone interact. energy: -0.823
local terms energy: -101.624816
where:
bonds (distance) C4'-P energy: -21.090
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -15.131
tors. eta vs tors. theta energy: -17.464
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: 7, replica: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -161.979453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.979453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.979453 (E_RNA)
where:
Base-Base interactions energy: -84.123
where: short stacking energy: -57.642
Base-Backbone interact. energy: -0.794
local terms energy: -77.062742
where:
bonds (distance) C4'-P energy: -21.168
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -8.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -141.997430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.997430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.997430 (E_RNA)
where:
Base-Base interactions energy: -51.841
where: short stacking energy: -50.091
Base-Backbone interact. energy: -0.154
local terms energy: -90.002930
where:
bonds (distance) C4'-P energy: -22.652
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -132.814447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.814447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.814447 (E_RNA)
where:
Base-Base interactions energy: -53.978
where: short stacking energy: -49.746
Base-Backbone interact. energy: -0.136
local terms energy: -78.700896
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -11.065
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: 10, replica: 3
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -134.020915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.020915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.020915 (E_RNA)
where:
Base-Base interactions energy: -48.916
where: short stacking energy: -43.446
Base-Backbone interact. energy: -0.218
local terms energy: -84.886649
where:
bonds (distance) C4'-P energy: -24.253
bonds (distance) P-C4' energy: -31.948
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -420.291513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.291513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.291513 (E_RNA)
where:
Base-Base interactions energy: -275.034
where: short stacking energy: -128.079
Base-Backbone interact. energy: -1.008
local terms energy: -144.249226
where:
bonds (distance) C4'-P energy: -26.098
bonds (distance) P-C4' energy: -29.693
flat angles C4'-P-C4' energy: -29.241
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -36.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -403.163751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.163751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.163751 (E_RNA)
where:
Base-Base interactions energy: -261.661
where: short stacking energy: -131.174
Base-Backbone interact. energy: -0.652
local terms energy: -140.850694
where:
bonds (distance) C4'-P energy: -29.535
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -30.076
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: -40.133
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: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -367.330028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.330028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.330028 (E_RNA)
where:
Base-Base interactions energy: -233.132
where: short stacking energy: -129.571
Base-Backbone interact. energy: -0.890
local terms energy: -133.307896
where:
bonds (distance) C4'-P energy: -27.535
bonds (distance) P-C4' energy: -24.083
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -19.996
tors. eta vs tors. theta energy: -35.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -353.216685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.216685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.216685 (E_RNA)
where:
Base-Base interactions energy: -222.371
where: short stacking energy: -129.943
Base-Backbone interact. energy: -1.511
local terms energy: -129.334962
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -28.935
flat angles P-C4'-P energy: -19.721
tors. eta vs tors. theta energy: -38.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -257.855739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.855739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.855739 (E_RNA)
where:
Base-Base interactions energy: -142.778
where: short stacking energy: -84.679
Base-Backbone interact. energy: -0.046
local terms energy: -115.031863
where:
bonds (distance) C4'-P energy: -25.705
bonds (distance) P-C4' energy: -27.064
flat angles C4'-P-C4' energy: -28.755
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -18.081
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: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -276.080917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.080917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.080917 (E_RNA)
where:
Base-Base interactions energy: -166.922
where: short stacking energy: -96.073
Base-Backbone interact. energy: 0.728
local terms energy: -109.887166
where:
bonds (distance) C4'-P energy: -24.548
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -18.065
tors. eta vs tors. theta energy: -22.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -155.284076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.284076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.284076 (E_RNA)
where:
Base-Base interactions energy: -58.051
where: short stacking energy: -55.043
Base-Backbone interact. energy: 0.137
local terms energy: -97.370129
where:
bonds (distance) C4'-P energy: -27.491
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -22.847
flat angles P-C4'-P energy: -17.960
tors. eta vs tors. theta energy: -7.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -147.810444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.810444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.810444 (E_RNA)
where:
Base-Base interactions energy: -57.436
where: short stacking energy: -48.670
Base-Backbone interact. energy: -1.795
local terms energy: -88.579194
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -25.121
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -11.417
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: 3
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -123.226264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.226264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.226264 (E_RNA)
where:
Base-Base interactions energy: -48.302
where: short stacking energy: -42.371
Base-Backbone interact. energy: -0.564
local terms energy: -74.360207
where:
bonds (distance) C4'-P energy: -21.466
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -22.236
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -126.325573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.325573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.325573 (E_RNA)
where:
Base-Base interactions energy: -52.511
where: short stacking energy: -50.417
Base-Backbone interact. energy: -1.047
local terms energy: -72.767754
where:
bonds (distance) C4'-P energy: -25.656
bonds (distance) P-C4' energy: -23.798
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: 3.446
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -415.869716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.869716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.869716 (E_RNA)
where:
Base-Base interactions energy: -283.278
where: short stacking energy: -129.209
Base-Backbone interact. energy: -1.325
local terms energy: -131.266716
where:
bonds (distance) C4'-P energy: -24.911
bonds (distance) P-C4' energy: -24.737
flat angles C4'-P-C4' energy: -25.670
flat angles P-C4'-P energy: -19.524
tors. eta vs tors. theta energy: -36.425
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: 71
Temperature: 0.950000
Total energy: -410.736836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.736836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.736836 (E_RNA)
where:
Base-Base interactions energy: -266.869
where: short stacking energy: -136.010
Base-Backbone interact. energy: -0.002
local terms energy: -143.865871
where:
bonds (distance) C4'-P energy: -25.497
bonds (distance) P-C4' energy: -25.130
flat angles C4'-P-C4' energy: -28.047
flat angles P-C4'-P energy: -19.925
tors. eta vs tors. theta energy: -45.267
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: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -354.601969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.601969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.601969 (E_RNA)
where:
Base-Base interactions energy: -233.788
where: short stacking energy: -124.133
Base-Backbone interact. energy: -0.228
local terms energy: -120.585778
where:
bonds (distance) C4'-P energy: -22.833
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -25.316
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -33.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -353.207478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.207478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.207478 (E_RNA)
where:
Base-Base interactions energy: -224.400
where: short stacking energy: -129.046
Base-Backbone interact. energy: -0.364
local terms energy: -128.444025
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -28.622
flat angles C4'-P-C4' energy: -25.359
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -37.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -282.019636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.019636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.019636 (E_RNA)
where:
Base-Base interactions energy: -167.406
where: short stacking energy: -92.191
Base-Backbone interact. energy: -0.539
local terms energy: -114.074343
where:
bonds (distance) C4'-P energy: -21.623
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -25.713
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -21.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -276.055418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.055418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.055418 (E_RNA)
where:
Base-Base interactions energy: -166.447
where: short stacking energy: -102.590
Base-Backbone interact. energy: -0.139
local terms energy: -109.469768
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -26.590
flat angles C4'-P-C4' energy: -22.338
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -23.829
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: 6
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -157.548339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.548339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.548339 (E_RNA)
where:
Base-Base interactions energy: -73.769
where: short stacking energy: -67.671
Base-Backbone interact. energy: -0.331
local terms energy: -83.447847
where:
bonds (distance) C4'-P energy: -25.534
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -24.047
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -162.809026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.809026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.809026 (E_RNA)
where:
Base-Base interactions energy: -71.306
where: short stacking energy: -57.854
Base-Backbone interact. energy: 1.949
local terms energy: -93.451542
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -27.883
flat angles C4'-P-C4' energy: -26.751
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -11.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -131.702176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.702176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.702176 (E_RNA)
where:
Base-Base interactions energy: -53.595
where: short stacking energy: -53.595
Base-Backbone interact. energy: -0.582
local terms energy: -77.524610
where:
bonds (distance) C4'-P energy: -21.748
bonds (distance) P-C4' energy: -25.499
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -13.463
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: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -139.646901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.646901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.646901 (E_RNA)
where:
Base-Base interactions energy: -57.519
where: short stacking energy: -52.571
Base-Backbone interact. energy: -1.195
local terms energy: -80.933007
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -24.981
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -427.476491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.476491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.476491 (E_RNA)
where:
Base-Base interactions energy: -283.059
where: short stacking energy: -129.342
Base-Backbone interact. energy: -1.067
local terms energy: -143.350953
where:
bonds (distance) C4'-P energy: -27.107
bonds (distance) P-C4' energy: -25.857
flat angles C4'-P-C4' energy: -25.173
flat angles P-C4'-P energy: -24.400
tors. eta vs tors. theta energy: -40.813
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: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -415.432900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.432900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.432900 (E_RNA)
where:
Base-Base interactions energy: -271.718
where: short stacking energy: -125.589
Base-Backbone interact. energy: -1.650
local terms energy: -142.065650
where:
bonds (distance) C4'-P energy: -27.894
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -28.511
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -37.676
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: 9
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -343.960730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.960730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.960730 (E_RNA)
where:
Base-Base interactions energy: -204.414
where: short stacking energy: -115.269
Base-Backbone interact. energy: 0.156
local terms energy: -139.702706
where:
bonds (distance) C4'-P energy: -29.431
bonds (distance) P-C4' energy: -29.503
flat angles C4'-P-C4' energy: -27.327
flat angles P-C4'-P energy: -20.975
tors. eta vs tors. theta energy: -32.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -341.417229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.417229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.417229 (E_RNA)
where:
Base-Base interactions energy: -217.666
where: short stacking energy: -114.824
Base-Backbone interact. energy: -0.590
local terms energy: -123.161727
where:
bonds (distance) C4'-P energy: -23.070
bonds (distance) P-C4' energy: -22.017
flat angles C4'-P-C4' energy: -27.789
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -32.495
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: 10
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -290.384958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.384958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.384958 (E_RNA)
where:
Base-Base interactions energy: -180.750
where: short stacking energy: -96.550
Base-Backbone interact. energy: -0.233
local terms energy: -109.402205
where:
bonds (distance) C4'-P energy: -25.197
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -26.717
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -18.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -266.082749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.082749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.082749 (E_RNA)
where:
Base-Base interactions energy: -153.947
where: short stacking energy: -88.147
Base-Backbone interact. energy: -0.038
local terms energy: -112.098361
where:
bonds (distance) C4'-P energy: -25.592
bonds (distance) P-C4' energy: -27.728
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -17.320
tors. eta vs tors. theta energy: -20.972
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: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -149.295663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.295663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.295663 (E_RNA)
where:
Base-Base interactions energy: -63.952
where: short stacking energy: -38.431
Base-Backbone interact. energy: -0.148
local terms energy: -85.195329
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -29.970
flat angles C4'-P-C4' energy: -25.651
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -143.258961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.258961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.258961 (E_RNA)
where:
Base-Base interactions energy: -56.427
where: short stacking energy: -52.856
Base-Backbone interact. energy: -0.182
local terms energy: -86.650517
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -23.052
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -17.795
tors. eta vs tors. theta energy: -6.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -154.285001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.285001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.285001 (E_RNA)
where:
Base-Base interactions energy: -78.970
where: short stacking energy: -58.744
Base-Backbone interact. energy: 0.168
local terms energy: -75.483361
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -25.978
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: 1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -143.115371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.115371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.115371 (E_RNA)
where:
Base-Base interactions energy: -56.500
where: short stacking energy: -56.500
Base-Backbone interact. energy: -0.520
local terms energy: -86.095563
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -23.449
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -2.468
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -418.090704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.090704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.090704 (E_RNA)
where:
Base-Base interactions energy: -269.121
where: short stacking energy: -141.098
Base-Backbone interact. energy: -0.103
local terms energy: -148.866382
where:
bonds (distance) C4'-P energy: -25.287
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -30.268
flat angles P-C4'-P energy: -24.581
tors. eta vs tors. theta energy: -43.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -418.847056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.847056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.847056 (E_RNA)
where:
Base-Base interactions energy: -273.939
where: short stacking energy: -132.550
Base-Backbone interact. energy: -2.254
local terms energy: -142.654321
where:
bonds (distance) C4'-P energy: -26.784
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -27.201
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: -37.248
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: 3, replica: 9
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -336.094462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.094462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.094462 (E_RNA)
where:
Base-Base interactions energy: -215.140
where: short stacking energy: -122.988
Base-Backbone interact. energy: -0.833
local terms energy: -120.121179
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -24.718
flat angles C4'-P-C4' energy: -27.443
flat angles P-C4'-P energy: -16.835
tors. eta vs tors. theta energy: -35.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -300.801978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.801978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.801978 (E_RNA)
where:
Base-Base interactions energy: -184.797
where: short stacking energy: -103.901
Base-Backbone interact. energy: 0.079
local terms energy: -116.084528
where:
bonds (distance) C4'-P energy: -24.861
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -24.362
flat angles P-C4'-P energy: -18.719
tors. eta vs tors. theta energy: -22.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -326.934830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.934830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.934830 (E_RNA)
where:
Base-Base interactions energy: -200.339
where: short stacking energy: -117.871
Base-Backbone interact. energy: -0.400
local terms energy: -126.195638
where:
bonds (distance) C4'-P energy: -25.565
bonds (distance) P-C4' energy: -25.641
flat angles C4'-P-C4' energy: -26.264
flat angles P-C4'-P energy: -17.558
tors. eta vs tors. theta energy: -31.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -262.602088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.602088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.602088 (E_RNA)
where:
Base-Base interactions energy: -152.832
where: short stacking energy: -89.550
Base-Backbone interact. energy: -0.442
local terms energy: -109.327246
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -26.702
flat angles C4'-P-C4' energy: -27.506
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -26.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -162.827112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.827112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.827112 (E_RNA)
where:
Base-Base interactions energy: -71.312
where: short stacking energy: -71.312
Base-Backbone interact. energy: -0.330
local terms energy: -91.185024
where:
bonds (distance) C4'-P energy: -22.299
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -21.344
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -11.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -138.073939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.073939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.073939 (E_RNA)
where:
Base-Base interactions energy: -68.438
where: short stacking energy: -47.825
Base-Backbone interact. energy: -0.742
local terms energy: -68.893382
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -22.966
flat angles C4'-P-C4' energy: -20.601
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: 1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -128.993609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.993609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.993609 (E_RNA)
where:
Base-Base interactions energy: -49.899
where: short stacking energy: -46.768
Base-Backbone interact. energy: 0.525
local terms energy: -79.619672
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -127.117603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.117603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.117603 (E_RNA)
where:
Base-Base interactions energy: -50.276
where: short stacking energy: -47.611
Base-Backbone interact. energy: -0.041
local terms energy: -76.799979
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -21.992
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -5.034
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -411.999233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.999233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.999233 (E_RNA)
where:
Base-Base interactions energy: -275.745
where: short stacking energy: -132.671
Base-Backbone interact. energy: -2.436
local terms energy: -133.818001
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -29.177
flat angles P-C4'-P energy: -19.393
tors. eta vs tors. theta energy: -35.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -412.394039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.394039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.394039 (E_RNA)
where:
Base-Base interactions energy: -270.211
where: short stacking energy: -132.952
Base-Backbone interact. energy: -0.327
local terms energy: -141.856395
where:
bonds (distance) C4'-P energy: -24.882
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -27.995
flat angles P-C4'-P energy: -23.989
tors. eta vs tors. theta energy: -44.579
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: 9
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -345.078847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.078847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.078847 (E_RNA)
where:
Base-Base interactions energy: -206.448
where: short stacking energy: -114.835
Base-Backbone interact. energy: -0.443
local terms energy: -138.187617
where:
bonds (distance) C4'-P energy: -29.342
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -26.522
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -34.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -300.878975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.878975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.878975 (E_RNA)
where:
Base-Base interactions energy: -183.441
where: short stacking energy: -111.721
Base-Backbone interact. energy: -0.018
local terms energy: -117.420202
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -26.330
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -25.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -314.614143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.614143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.614143 (E_RNA)
where:
Base-Base interactions energy: -189.101
where: short stacking energy: -101.326
Base-Backbone interact. energy: -1.097
local terms energy: -124.416588
where:
bonds (distance) C4'-P energy: -27.441
bonds (distance) P-C4' energy: -27.505
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -30.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -276.079232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.079232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.079232 (E_RNA)
where:
Base-Base interactions energy: -163.956
where: short stacking energy: -99.440
Base-Backbone interact. energy: -0.658
local terms energy: -111.465617
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -27.499
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -26.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -164.755577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.755577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.755577 (E_RNA)
where:
Base-Base interactions energy: -93.501
where: short stacking energy: -57.441
Base-Backbone interact. energy: 0.507
local terms energy: -71.761237
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -146.599174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.599174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.599174 (E_RNA)
where:
Base-Base interactions energy: -56.440
where: short stacking energy: -55.579
Base-Backbone interact. energy: -0.292
local terms energy: -89.867348
where:
bonds (distance) C4'-P energy: -25.726
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -16.961
tors. eta vs tors. theta energy: -9.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -134.664789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.664789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.664789 (E_RNA)
where:
Base-Base interactions energy: -59.963
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.149
local terms energy: -74.553569
where:
bonds (distance) C4'-P energy: -27.132
bonds (distance) P-C4' energy: -21.835
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -8.427
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: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -127.454520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.454520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.454520 (E_RNA)
where:
Base-Base interactions energy: -46.413
where: short stacking energy: -46.227
Base-Backbone interact. energy: -0.334
local terms energy: -80.707626
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -19.458
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -420.899534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.899534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.899534 (E_RNA)
where:
Base-Base interactions energy: -283.083
where: short stacking energy: -135.137
Base-Backbone interact. energy: -0.047
local terms energy: -137.769278
where:
bonds (distance) C4'-P energy: -24.075
bonds (distance) P-C4' energy: -26.842
flat angles C4'-P-C4' energy: -29.841
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -38.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -421.054982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.054982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.054982 (E_RNA)
where:
Base-Base interactions energy: -276.248
where: short stacking energy: -147.131
Base-Backbone interact. energy: -0.008
local terms energy: -144.799597
where:
bonds (distance) C4'-P energy: -24.480
bonds (distance) P-C4' energy: -24.295
flat angles C4'-P-C4' energy: -31.000
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -46.476
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: 9
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -328.988515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.988515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.988515 (E_RNA)
where:
Base-Base interactions energy: -202.752
where: short stacking energy: -111.225
Base-Backbone interact. energy: -0.341
local terms energy: -125.895818
where:
bonds (distance) C4'-P energy: -23.173
bonds (distance) P-C4' energy: -27.173
flat angles C4'-P-C4' energy: -27.081
flat angles P-C4'-P energy: -19.743
tors. eta vs tors. theta energy: -28.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -346.773878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.773878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.773878 (E_RNA)
where:
Base-Base interactions energy: -213.759
where: short stacking energy: -105.825
Base-Backbone interact. energy: -0.942
local terms energy: -132.072472
where:
bonds (distance) C4'-P energy: -29.043
bonds (distance) P-C4' energy: -26.031
flat angles C4'-P-C4' energy: -28.854
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -32.631
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: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -298.699343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.699343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.699343 (E_RNA)
where:
Base-Base interactions energy: -176.556
where: short stacking energy: -102.314
Base-Backbone interact. energy: -0.767
local terms energy: -121.376472
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -29.509
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -26.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -278.809538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.809538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.809538 (E_RNA)
where:
Base-Base interactions energy: -169.415
where: short stacking energy: -108.141
Base-Backbone interact. energy: -0.880
local terms energy: -108.514794
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -24.891
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -33.384
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: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -176.654281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.654281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.654281 (E_RNA)
where:
Base-Base interactions energy: -83.481
where: short stacking energy: -52.494
Base-Backbone interact. energy: -1.260
local terms energy: -91.913215
where:
bonds (distance) C4'-P energy: -24.792
bonds (distance) P-C4' energy: -24.115
flat angles C4'-P-C4' energy: -21.424
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -8.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -135.219977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.219977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.219977 (E_RNA)
where:
Base-Base interactions energy: -56.147
where: short stacking energy: -53.638
Base-Backbone interact. energy: -1.303
local terms energy: -77.769593
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -25.846
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -10.227
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: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -129.006764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.006764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.006764 (E_RNA)
where:
Base-Base interactions energy: -50.354
where: short stacking energy: -49.655
Base-Backbone interact. energy: -1.320
local terms energy: -77.333356
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -23.191
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -18.619
tors. eta vs tors. theta energy: 1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -138.035422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.035422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.035422 (E_RNA)
where:
Base-Base interactions energy: -56.745
where: short stacking energy: -47.877
Base-Backbone interact. energy: -0.369
local terms energy: -80.922320
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -27.502
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -419.755318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.755318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.755318 (E_RNA)
where:
Base-Base interactions energy: -276.063
where: short stacking energy: -134.393
Base-Backbone interact. energy: -0.505
local terms energy: -143.187478
where:
bonds (distance) C4'-P energy: -28.480
bonds (distance) P-C4' energy: -27.749
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -19.228
tors. eta vs tors. theta energy: -42.407
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: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -413.477778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.477778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.477778 (E_RNA)
where:
Base-Base interactions energy: -277.359
where: short stacking energy: -128.792
Base-Backbone interact. energy: -0.009
local terms energy: -136.109708
where:
bonds (distance) C4'-P energy: -25.528
bonds (distance) P-C4' energy: -26.394
flat angles C4'-P-C4' energy: -30.518
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -36.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -355.984988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.984988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.984988 (E_RNA)
where:
Base-Base interactions energy: -220.948
where: short stacking energy: -126.891
Base-Backbone interact. energy: -0.947
local terms energy: -134.090297
where:
bonds (distance) C4'-P energy: -24.059
bonds (distance) P-C4' energy: -28.133
flat angles C4'-P-C4' energy: -28.050
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -35.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -343.419191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.419191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.419191 (E_RNA)
where:
Base-Base interactions energy: -209.182
where: short stacking energy: -113.316
Base-Backbone interact. energy: 0.147
local terms energy: -134.383992
where:
bonds (distance) C4'-P energy: -27.880
bonds (distance) P-C4' energy: -25.870
flat angles C4'-P-C4' energy: -30.717
flat angles P-C4'-P energy: -20.013
tors. eta vs tors. theta energy: -29.904
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: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -308.552312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.552312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.552312 (E_RNA)
where:
Base-Base interactions energy: -188.028
where: short stacking energy: -108.929
Base-Backbone interact. energy: -0.648
local terms energy: -119.875684
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -22.501
flat angles C4'-P-C4' energy: -28.875
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -29.608
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: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -271.177830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.177830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.177830 (E_RNA)
where:
Base-Base interactions energy: -156.887
where: short stacking energy: -92.450
Base-Backbone interact. energy: 0.514
local terms energy: -114.804479
where:
bonds (distance) C4'-P energy: -24.765
bonds (distance) P-C4' energy: -25.396
flat angles C4'-P-C4' energy: -29.376
flat angles P-C4'-P energy: -17.617
tors. eta vs tors. theta energy: -17.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -169.986659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.986659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.986659 (E_RNA)
where:
Base-Base interactions energy: -81.914
where: short stacking energy: -60.632
Base-Backbone interact. energy: 1.440
local terms energy: -89.512615
where:
bonds (distance) C4'-P energy: -24.165
bonds (distance) P-C4' energy: -22.501
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -141.196279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.196279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.196279 (E_RNA)
where:
Base-Base interactions energy: -56.059
where: short stacking energy: -47.245
Base-Backbone interact. energy: -2.292
local terms energy: -82.845249
where:
bonds (distance) C4'-P energy: -22.913
bonds (distance) P-C4' energy: -24.584
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -133.981400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.981400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.981400 (E_RNA)
where:
Base-Base interactions energy: -50.323
where: short stacking energy: -45.149
Base-Backbone interact. energy: -0.136
local terms energy: -83.522935
where:
bonds (distance) C4'-P energy: -25.060
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -22.776
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -3.692
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: 8
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -131.155097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.155097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.155097 (E_RNA)
where:
Base-Base interactions energy: -51.068
where: short stacking energy: -41.992
Base-Backbone interact. energy: -2.248
local terms energy: -77.839101
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -24.230
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: 5.038
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -416.334315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.334315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.334315 (E_RNA)
where:
Base-Base interactions energy: -278.496
where: short stacking energy: -133.531
Base-Backbone interact. energy: -0.622
local terms energy: -137.215934
where:
bonds (distance) C4'-P energy: -28.955
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -27.244
flat angles P-C4'-P energy: -18.315
tors. eta vs tors. theta energy: -40.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -396.093075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.093075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.093075 (E_RNA)
where:
Base-Base interactions energy: -260.316
where: short stacking energy: -121.004
Base-Backbone interact. energy: -0.616
local terms energy: -135.161454
where:
bonds (distance) C4'-P energy: -26.385
bonds (distance) P-C4' energy: -25.404
flat angles C4'-P-C4' energy: -28.691
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -34.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -354.177475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.177475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.177475 (E_RNA)
where:
Base-Base interactions energy: -220.933
where: short stacking energy: -128.553
Base-Backbone interact. energy: -0.280
local terms energy: -132.963791
where:
bonds (distance) C4'-P energy: -25.738
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -28.663
flat angles P-C4'-P energy: -19.907
tors. eta vs tors. theta energy: -36.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -340.757425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.757425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.757425 (E_RNA)
where:
Base-Base interactions energy: -217.161
where: short stacking energy: -121.023
Base-Backbone interact. energy: -0.744
local terms energy: -122.852724
where:
bonds (distance) C4'-P energy: -22.722
bonds (distance) P-C4' energy: -24.516
flat angles C4'-P-C4' energy: -25.842
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -35.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -310.326122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.326122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.326122 (E_RNA)
where:
Base-Base interactions energy: -192.633
where: short stacking energy: -115.085
Base-Backbone interact. energy: -0.022
local terms energy: -117.670971
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -28.458
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -30.354
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: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -261.889588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.889588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.889588 (E_RNA)
where:
Base-Base interactions energy: -158.605
where: short stacking energy: -86.893
Base-Backbone interact. energy: -0.181
local terms energy: -103.103571
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -22.439
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -17.536
tors. eta vs tors. theta energy: -25.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -164.082986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.082986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.082986 (E_RNA)
where:
Base-Base interactions energy: -70.741
where: short stacking energy: -57.222
Base-Backbone interact. energy: -0.106
local terms energy: -93.235909
where:
bonds (distance) C4'-P energy: -24.788
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -15.443
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: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -152.355441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.355441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.355441 (E_RNA)
where:
Base-Base interactions energy: -56.964
where: short stacking energy: -42.242
Base-Backbone interact. energy: -2.786
local terms energy: -92.606050
where:
bonds (distance) C4'-P energy: -24.351
bonds (distance) P-C4' energy: -25.987
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -11.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -154.140127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.140127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.140127 (E_RNA)
where:
Base-Base interactions energy: -68.152
where: short stacking energy: -59.427
Base-Backbone interact. energy: 4.239
local terms energy: -90.226431
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -21.699
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -141.469404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.469404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.469404 (E_RNA)
where:
Base-Base interactions energy: -62.936
where: short stacking energy: -57.188
Base-Backbone interact. energy: -0.519
local terms energy: -78.014286
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -7.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -410.829115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.829115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.829115 (E_RNA)
where:
Base-Base interactions energy: -265.492
where: short stacking energy: -136.539
Base-Backbone interact. energy: -0.004
local terms energy: -145.332825
where:
bonds (distance) C4'-P energy: -24.127
bonds (distance) P-C4' energy: -27.328
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -24.088
tors. eta vs tors. theta energy: -43.601
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: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -416.089624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.089624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.089624 (E_RNA)
where:
Base-Base interactions energy: -274.672
where: short stacking energy: -136.084
Base-Backbone interact. energy: -1.083
local terms energy: -140.334412
where:
bonds (distance) C4'-P energy: -30.209
bonds (distance) P-C4' energy: -27.286
flat angles C4'-P-C4' energy: -27.544
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -38.558
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: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -356.056128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.056128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.056128 (E_RNA)
where:
Base-Base interactions energy: -224.807
where: short stacking energy: -123.218
Base-Backbone interact. energy: -1.042
local terms energy: -130.207203
where:
bonds (distance) C4'-P energy: -28.292
bonds (distance) P-C4' energy: -23.999
flat angles C4'-P-C4' energy: -27.489
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -36.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -313.276394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.276394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.276394 (E_RNA)
where:
Base-Base interactions energy: -192.125
where: short stacking energy: -94.252
Base-Backbone interact. energy: 0.713
local terms energy: -121.863937
where:
bonds (distance) C4'-P energy: -27.199
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -27.442
flat angles P-C4'-P energy: -20.346
tors. eta vs tors. theta energy: -24.703
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: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -299.925070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.925070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.925070 (E_RNA)
where:
Base-Base interactions energy: -175.489
where: short stacking energy: -88.856
Base-Backbone interact. energy: -0.534
local terms energy: -123.902622
where:
bonds (distance) C4'-P energy: -27.205
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -27.142
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: -28.271
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: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -266.100688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.100688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.100688 (E_RNA)
where:
Base-Base interactions energy: -161.909
where: short stacking energy: -93.650
Base-Backbone interact. energy: 0.578
local terms energy: -104.769797
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -25.020
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -20.124
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: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -151.856730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.856730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.856730 (E_RNA)
where:
Base-Base interactions energy: -57.966
where: short stacking energy: -56.670
Base-Backbone interact. energy: -1.357
local terms energy: -92.533711
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -19.140
tors. eta vs tors. theta energy: -9.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -132.824932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.824932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.824932 (E_RNA)
where:
Base-Base interactions energy: -46.968
where: short stacking energy: -44.474
Base-Backbone interact. energy: -0.235
local terms energy: -85.621246
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -10.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -148.585703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.585703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.585703 (E_RNA)
where:
Base-Base interactions energy: -66.787
where: short stacking energy: -56.186
Base-Backbone interact. energy: -1.382
local terms energy: -80.416888
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -25.403
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -124.260469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.260469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.260469 (E_RNA)
where:
Base-Base interactions energy: -53.697
where: short stacking energy: -39.222
Base-Backbone interact. energy: -1.625
local terms energy: -68.938267
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -1.934
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -412.725597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.725597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.725597 (E_RNA)
where:
Base-Base interactions energy: -270.545
where: short stacking energy: -141.452
Base-Backbone interact. energy: -0.042
local terms energy: -142.138176
where:
bonds (distance) C4'-P energy: -25.116
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -32.853
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -43.809
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: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -398.605121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.605121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.605121 (E_RNA)
where:
Base-Base interactions energy: -273.349
where: short stacking energy: -132.833
Base-Backbone interact. energy: -0.023
local terms energy: -125.232435
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -21.304
flat angles C4'-P-C4' energy: -29.606
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -33.749
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: 1
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -355.392217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.392217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.392217 (E_RNA)
where:
Base-Base interactions energy: -225.196
where: short stacking energy: -128.550
Base-Backbone interact. energy: -0.230
local terms energy: -129.965570
where:
bonds (distance) C4'-P energy: -27.829
bonds (distance) P-C4' energy: -22.097
flat angles C4'-P-C4' energy: -25.677
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -33.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -324.884509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.884509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.884509 (E_RNA)
where:
Base-Base interactions energy: -200.126
where: short stacking energy: -112.118
Base-Backbone interact. energy: -1.117
local terms energy: -123.641760
where:
bonds (distance) C4'-P energy: -25.829
bonds (distance) P-C4' energy: -23.221
flat angles C4'-P-C4' energy: -24.876
flat angles P-C4'-P energy: -17.518
tors. eta vs tors. theta energy: -32.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -313.807487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.807487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.807487 (E_RNA)
where:
Base-Base interactions energy: -206.329
where: short stacking energy: -102.250
Base-Backbone interact. energy: -0.419
local terms energy: -107.059638
where:
bonds (distance) C4'-P energy: -24.456
bonds (distance) P-C4' energy: -27.589
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -21.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -267.729508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.729508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.729508 (E_RNA)
where:
Base-Base interactions energy: -163.400
where: short stacking energy: -92.543
Base-Backbone interact. energy: -0.505
local terms energy: -103.824324
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -30.764
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -165.430636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.430636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.430636 (E_RNA)
where:
Base-Base interactions energy: -68.959
where: short stacking energy: -58.017
Base-Backbone interact. energy: -0.273
local terms energy: -96.198635
where:
bonds (distance) C4'-P energy: -26.713
bonds (distance) P-C4' energy: -21.201
flat angles C4'-P-C4' energy: -24.019
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -150.006203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.006203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.006203 (E_RNA)
where:
Base-Base interactions energy: -63.099
where: short stacking energy: -63.099
Base-Backbone interact. energy: -0.232
local terms energy: -86.675861
where:
bonds (distance) C4'-P energy: -23.094
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -17.923
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -136.569458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.569458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.569458 (E_RNA)
where:
Base-Base interactions energy: -52.560
where: short stacking energy: -52.960
Base-Backbone interact. energy: -0.139
local terms energy: -83.870527
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -24.144
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -6.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -127.397335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.397335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.397335 (E_RNA)
where:
Base-Base interactions energy: -72.887
where: short stacking energy: -64.091
Base-Backbone interact. energy: -0.777
local terms energy: -53.733919
where:
bonds (distance) C4'-P energy: -22.401
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -5.196
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -416.618124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.618124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.618124 (E_RNA)
where:
Base-Base interactions energy: -275.472
where: short stacking energy: -140.878
Base-Backbone interact. energy: -0.002
local terms energy: -141.143978
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -26.466
flat angles C4'-P-C4' energy: -26.195
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -42.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -399.073114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.073114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.073114 (E_RNA)
where:
Base-Base interactions energy: -260.523
where: short stacking energy: -108.912
Base-Backbone interact. energy: 0.743
local terms energy: -139.292965
where:
bonds (distance) C4'-P energy: -27.404
bonds (distance) P-C4' energy: -27.167
flat angles C4'-P-C4' energy: -28.654
flat angles P-C4'-P energy: -23.339
tors. eta vs tors. theta energy: -32.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -342.030318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.030318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.030318 (E_RNA)
where:
Base-Base interactions energy: -221.656
where: short stacking energy: -119.526
Base-Backbone interact. energy: -1.274
local terms energy: -119.100909
where:
bonds (distance) C4'-P energy: -24.637
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -21.796
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -32.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -302.102926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.102926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.102926 (E_RNA)
where:
Base-Base interactions energy: -189.755
where: short stacking energy: -100.423
Base-Backbone interact. energy: -0.098
local terms energy: -112.249836
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -20.396
tors. eta vs tors. theta energy: -26.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -301.472498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.472498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.472498 (E_RNA)
where:
Base-Base interactions energy: -185.355
where: short stacking energy: -115.177
Base-Backbone interact. energy: -1.179
local terms energy: -114.938540
where:
bonds (distance) C4'-P energy: -25.366
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: -23.943
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: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -310.663114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.663114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.663114 (E_RNA)
where:
Base-Base interactions energy: -193.085
where: short stacking energy: -103.380
Base-Backbone interact. energy: -0.159
local terms energy: -117.418819
where:
bonds (distance) C4'-P energy: -26.638
bonds (distance) P-C4' energy: -26.328
flat angles C4'-P-C4' energy: -25.709
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -25.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -186.690563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.690563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.690563 (E_RNA)
where:
Base-Base interactions energy: -85.054
where: short stacking energy: -65.845
Base-Backbone interact. energy: -0.503
local terms energy: -101.134116
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -26.523
flat angles C4'-P-C4' energy: -19.844
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -139.097030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.097030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.097030 (E_RNA)
where:
Base-Base interactions energy: -53.880
where: short stacking energy: -53.818
Base-Backbone interact. energy: -0.399
local terms energy: -84.818025
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -22.962
flat angles C4'-P-C4' energy: -23.449
flat angles P-C4'-P energy: -14.348
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: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -135.520217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.520217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.520217 (E_RNA)
where:
Base-Base interactions energy: -47.230
where: short stacking energy: -45.596
Base-Backbone interact. energy: 0.372
local terms energy: -88.661632
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -29.160
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -135.970577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.970577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.970577 (E_RNA)
where:
Base-Base interactions energy: -63.079
where: short stacking energy: -59.382
Base-Backbone interact. energy: -1.358
local terms energy: -71.533752
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -414.002577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.002577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.002577 (E_RNA)
where:
Base-Base interactions energy: -269.643
where: short stacking energy: -145.304
Base-Backbone interact. energy: 0.327
local terms energy: -144.686111
where:
bonds (distance) C4'-P energy: -25.855
bonds (distance) P-C4' energy: -23.641
flat angles C4'-P-C4' energy: -31.149
flat angles P-C4'-P energy: -20.438
tors. eta vs tors. theta energy: -43.604
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: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -406.941504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.941504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.941504 (E_RNA)
where:
Base-Base interactions energy: -274.247
where: short stacking energy: -122.126
Base-Backbone interact. energy: -0.361
local terms energy: -132.333481
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -19.226
flat angles C4'-P-C4' energy: -28.643
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: -38.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -341.600229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.600229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.600229 (E_RNA)
where:
Base-Base interactions energy: -215.380
where: short stacking energy: -115.838
Base-Backbone interact. energy: -2.556
local terms energy: -123.664042
where:
bonds (distance) C4'-P energy: -24.501
bonds (distance) P-C4' energy: -24.761
flat angles C4'-P-C4' energy: -30.201
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -28.735
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: 81
Temperature: 1.050000
Total energy: -289.193058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.193058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.193058 (E_RNA)
where:
Base-Base interactions energy: -172.416
where: short stacking energy: -93.876
Base-Backbone interact. energy: -0.321
local terms energy: -116.456983
where:
bonds (distance) C4'-P energy: -26.239
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -25.813
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -23.554
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: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -291.405134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.405134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.405134 (E_RNA)
where:
Base-Base interactions energy: -177.850
where: short stacking energy: -107.328
Base-Backbone interact. energy: 0.630
local terms energy: -114.185406
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -26.165
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -26.521
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: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -287.849198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.849198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.849198 (E_RNA)
where:
Base-Base interactions energy: -187.669
where: short stacking energy: -98.393
Base-Backbone interact. energy: 2.373
local terms energy: -102.553210
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -27.166
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -17.397
tors. eta vs tors. theta energy: -19.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -183.487331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.487331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.487331 (E_RNA)
where:
Base-Base interactions energy: -100.234
where: short stacking energy: -68.601
Base-Backbone interact. energy: -0.292
local terms energy: -82.961044
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -25.138
flat angles C4'-P-C4' energy: -20.280
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -150.408581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.408581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.408581 (E_RNA)
where:
Base-Base interactions energy: -73.254
where: short stacking energy: -49.731
Base-Backbone interact. energy: -0.191
local terms energy: -76.962989
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -146.964704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.964704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.964704 (E_RNA)
where:
Base-Base interactions energy: -62.655
where: short stacking energy: -49.115
Base-Backbone interact. energy: -0.332
local terms energy: -83.977635
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -137.441129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.441129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.441129 (E_RNA)
where:
Base-Base interactions energy: -40.492
where: short stacking energy: -39.814
Base-Backbone interact. energy: -0.070
local terms energy: -96.878811
where:
bonds (distance) C4'-P energy: -25.432
bonds (distance) P-C4' energy: -27.250
flat angles C4'-P-C4' energy: -21.987
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -424.995625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.995625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.995625 (E_RNA)
where:
Base-Base interactions energy: -285.631
where: short stacking energy: -131.355
Base-Backbone interact. energy: -0.631
local terms energy: -138.733578
where:
bonds (distance) C4'-P energy: -26.807
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -29.638
flat angles P-C4'-P energy: -19.832
tors. eta vs tors. theta energy: -37.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -405.326554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.326554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.326554 (E_RNA)
where:
Base-Base interactions energy: -268.194
where: short stacking energy: -133.016
Base-Backbone interact. energy: -0.489
local terms energy: -136.643093
where:
bonds (distance) C4'-P energy: -26.769
bonds (distance) P-C4' energy: -24.217
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -20.395
tors. eta vs tors. theta energy: -39.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -340.558835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.558835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.558835 (E_RNA)
where:
Base-Base interactions energy: -211.188
where: short stacking energy: -119.241
Base-Backbone interact. energy: 0.215
local terms energy: -129.585109
where:
bonds (distance) C4'-P energy: -21.750
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -30.995
flat angles P-C4'-P energy: -20.312
tors. eta vs tors. theta energy: -30.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -313.411965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.411965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.411965 (E_RNA)
where:
Base-Base interactions energy: -191.673
where: short stacking energy: -110.897
Base-Backbone interact. energy: -0.815
local terms energy: -120.924549
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -25.346
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -36.390
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: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -299.934702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.934702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.934702 (E_RNA)
where:
Base-Base interactions energy: -187.367
where: short stacking energy: -89.837
Base-Backbone interact. energy: -1.239
local terms energy: -111.328512
where:
bonds (distance) C4'-P energy: -29.001
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -26.953
flat angles P-C4'-P energy: -13.124
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: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -301.138891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.138891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.138891 (E_RNA)
where:
Base-Base interactions energy: -193.727
where: short stacking energy: -100.283
Base-Backbone interact. energy: -0.772
local terms energy: -106.640567
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -27.485
flat angles C4'-P-C4' energy: -24.183
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -26.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -154.699533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.699533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.699533 (E_RNA)
where:
Base-Base interactions energy: -70.876
where: short stacking energy: -44.747
Base-Backbone interact. energy: -0.670
local terms energy: -83.153376
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -17.759
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: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -157.370334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.370334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.370334 (E_RNA)
where:
Base-Base interactions energy: -71.092
where: short stacking energy: -58.302
Base-Backbone interact. energy: 0.385
local terms energy: -86.664014
where:
bonds (distance) C4'-P energy: -23.322
bonds (distance) P-C4' energy: -24.580
flat angles C4'-P-C4' energy: -19.951
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -8.436
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: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -135.726848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.726848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.726848 (E_RNA)
where:
Base-Base interactions energy: -50.036
where: short stacking energy: -48.467
Base-Backbone interact. energy: 0.135
local terms energy: -85.826237
where:
bonds (distance) C4'-P energy: -29.916
bonds (distance) P-C4' energy: -22.600
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -15.452
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: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -126.839067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.839067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.839067 (E_RNA)
where:
Base-Base interactions energy: -42.708
where: short stacking energy: -42.708
Base-Backbone interact. energy: 0.733
local terms energy: -84.863528
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -26.271
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -5.259
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -418.529298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.529298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.529298 (E_RNA)
where:
Base-Base interactions energy: -281.327
where: short stacking energy: -133.022
Base-Backbone interact. energy: -0.132
local terms energy: -137.070417
where:
bonds (distance) C4'-P energy: -25.694
bonds (distance) P-C4' energy: -25.532
flat angles C4'-P-C4' energy: -25.370
flat angles P-C4'-P energy: -24.871
tors. eta vs tors. theta energy: -35.604
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: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -412.077710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.077710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.077710 (E_RNA)
where:
Base-Base interactions energy: -274.518
where: short stacking energy: -128.269
Base-Backbone interact. energy: -0.289
local terms energy: -137.271595
where:
bonds (distance) C4'-P energy: -26.959
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -26.601
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -41.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -366.874103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.874103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.874103 (E_RNA)
where:
Base-Base interactions energy: -233.280
where: short stacking energy: -119.946
Base-Backbone interact. energy: -0.658
local terms energy: -132.935928
where:
bonds (distance) C4'-P energy: -22.709
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -30.031
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -34.331
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: 10
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -342.376749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.376749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.376749 (E_RNA)
where:
Base-Base interactions energy: -230.941
where: short stacking energy: -116.438
Base-Backbone interact. energy: -0.325
local terms energy: -111.111165
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -27.497
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -25.150
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: 7
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -282.773573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.773573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.773573 (E_RNA)
where:
Base-Base interactions energy: -167.189
where: short stacking energy: -102.948
Base-Backbone interact. energy: -0.806
local terms energy: -114.778674
where:
bonds (distance) C4'-P energy: -22.834
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -24.321
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -31.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -321.767742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.767742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.767742 (E_RNA)
where:
Base-Base interactions energy: -201.267
where: short stacking energy: -103.697
Base-Backbone interact. energy: -1.046
local terms energy: -119.454018
where:
bonds (distance) C4'-P energy: -24.017
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -27.624
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -31.016
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: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -157.131497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.131497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.131497 (E_RNA)
where:
Base-Base interactions energy: -78.065
where: short stacking energy: -61.274
Base-Backbone interact. energy: 1.740
local terms energy: -80.805893
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -24.907
flat angles C4'-P-C4' energy: -23.000
flat angles P-C4'-P energy: -12.412
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: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -142.873542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.873542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.873542 (E_RNA)
where:
Base-Base interactions energy: -48.421
where: short stacking energy: -48.216
Base-Backbone interact. energy: 0.394
local terms energy: -94.846438
where:
bonds (distance) C4'-P energy: -22.030
bonds (distance) P-C4' energy: -25.245
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -138.661124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.661124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.661124 (E_RNA)
where:
Base-Base interactions energy: -69.853
where: short stacking energy: -61.030
Base-Backbone interact. energy: -0.146
local terms energy: -68.661820
where:
bonds (distance) C4'-P energy: -25.209
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -5.652
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: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -126.855327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.855327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.855327 (E_RNA)
where:
Base-Base interactions energy: -52.812
where: short stacking energy: -51.883
Base-Backbone interact. energy: -0.719
local terms energy: -73.324679
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -7.992
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -416.121160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.121160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.121160 (E_RNA)
where:
Base-Base interactions energy: -270.466
where: short stacking energy: -137.570
Base-Backbone interact. energy: -1.866
local terms energy: -143.788756
where:
bonds (distance) C4'-P energy: -28.638
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -29.594
flat angles P-C4'-P energy: -23.914
tors. eta vs tors. theta energy: -42.853
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: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -416.988602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.988602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.988602 (E_RNA)
where:
Base-Base interactions energy: -279.887
where: short stacking energy: -135.228
Base-Backbone interact. energy: -0.103
local terms energy: -136.998959
where:
bonds (distance) C4'-P energy: -24.773
bonds (distance) P-C4' energy: -26.744
flat angles C4'-P-C4' energy: -29.779
flat angles P-C4'-P energy: -19.445
tors. eta vs tors. theta energy: -36.258
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: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -367.131776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.131776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.131776 (E_RNA)
where:
Base-Base interactions energy: -236.819
where: short stacking energy: -117.344
Base-Backbone interact. energy: -0.842
local terms energy: -129.471633
where:
bonds (distance) C4'-P energy: -21.893
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -31.235
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -31.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -334.877525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.877525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.877525 (E_RNA)
where:
Base-Base interactions energy: -216.831
where: short stacking energy: -106.481
Base-Backbone interact. energy: -0.730
local terms energy: -117.316025
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -25.093
flat angles C4'-P-C4' energy: -28.692
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -24.807
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: 5, replica: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -332.749260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.749260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.749260 (E_RNA)
where:
Base-Base interactions energy: -203.670
where: short stacking energy: -111.406
Base-Backbone interact. energy: -0.261
local terms energy: -128.817348
where:
bonds (distance) C4'-P energy: -29.499
bonds (distance) P-C4' energy: -26.816
flat angles C4'-P-C4' energy: -26.578
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -28.992
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: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -255.361408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.361408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.361408 (E_RNA)
where:
Base-Base interactions energy: -148.397
where: short stacking energy: -86.222
Base-Backbone interact. energy: -1.363
local terms energy: -105.600761
where:
bonds (distance) C4'-P energy: -25.418
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -20.108
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: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -160.874451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.874451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.874451 (E_RNA)
where:
Base-Base interactions energy: -65.628
where: short stacking energy: -56.127
Base-Backbone interact. energy: 0.269
local terms energy: -95.516154
where:
bonds (distance) C4'-P energy: -26.988
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -21.965
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -144.322004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.322004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.322004 (E_RNA)
where:
Base-Base interactions energy: -61.906
where: short stacking energy: -61.906
Base-Backbone interact. energy: 0.228
local terms energy: -82.643775
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -24.778
flat angles P-C4'-P energy: -7.271
tors. eta vs tors. theta energy: -8.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -157.122057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.122057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.122057 (E_RNA)
where:
Base-Base interactions energy: -72.619
where: short stacking energy: -61.477
Base-Backbone interact. energy: -0.188
local terms energy: -84.315747
where:
bonds (distance) C4'-P energy: -26.323
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -123.451606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.451606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.451606 (E_RNA)
where:
Base-Base interactions energy: -47.943
where: short stacking energy: -47.943
Base-Backbone interact. energy: -0.475
local terms energy: -75.033558
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -22.220
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -3.068
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -398.477615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.477615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.477615 (E_RNA)
where:
Base-Base interactions energy: -257.104
where: short stacking energy: -137.461
Base-Backbone interact. energy: -0.120
local terms energy: -141.253407
where:
bonds (distance) C4'-P energy: -26.765
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -30.742
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -43.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -380.656584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.656584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.656584 (E_RNA)
where:
Base-Base interactions energy: -240.619
where: short stacking energy: -134.935
Base-Backbone interact. energy: -0.995
local terms energy: -139.043101
where:
bonds (distance) C4'-P energy: -25.309
bonds (distance) P-C4' energy: -31.740
flat angles C4'-P-C4' energy: -23.296
flat angles P-C4'-P energy: -19.658
tors. eta vs tors. theta energy: -39.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -410.133460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.133460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.133460 (E_RNA)
where:
Base-Base interactions energy: -272.012
where: short stacking energy: -121.035
Base-Backbone interact. energy: -1.147
local terms energy: -136.974644
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -26.524
flat angles C4'-P-C4' energy: -28.516
flat angles P-C4'-P energy: -21.488
tors. eta vs tors. theta energy: -36.575
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: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -328.807151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.807151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.807151 (E_RNA)
where:
Base-Base interactions energy: -222.745
where: short stacking energy: -113.076
Base-Backbone interact. energy: -0.164
local terms energy: -105.897738
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -23.009
flat angles C4'-P-C4' energy: -23.513
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -23.117
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: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -355.866087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.866087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.866087 (E_RNA)
where:
Base-Base interactions energy: -231.418
where: short stacking energy: -126.510
Base-Backbone interact. energy: -0.017
local terms energy: -124.431128
where:
bonds (distance) C4'-P energy: -24.712
bonds (distance) P-C4' energy: -26.049
flat angles C4'-P-C4' energy: -28.804
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -28.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -254.853577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.853577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.853577 (E_RNA)
where:
Base-Base interactions energy: -158.753
where: short stacking energy: -86.481
Base-Backbone interact. energy: -1.140
local terms energy: -94.960381
where:
bonds (distance) C4'-P energy: -22.692
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -19.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -140.752712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.752712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.752712 (E_RNA)
where:
Base-Base interactions energy: -58.302
where: short stacking energy: -46.211
Base-Backbone interact. energy: -1.021
local terms energy: -81.430302
where:
bonds (distance) C4'-P energy: -26.499
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -143.302387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.302387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.302387 (E_RNA)
where:
Base-Base interactions energy: -49.283
where: short stacking energy: -49.283
Base-Backbone interact. energy: -0.239
local terms energy: -93.780516
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -23.936
flat angles C4'-P-C4' energy: -26.261
flat angles P-C4'-P energy: -16.908
tors. eta vs tors. theta energy: -9.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -151.618290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.618290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.618290 (E_RNA)
where:
Base-Base interactions energy: -65.854
where: short stacking energy: -50.730
Base-Backbone interact. energy: -1.170
local terms energy: -84.594248
where:
bonds (distance) C4'-P energy: -22.990
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -22.748
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -130.239047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.239047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.239047 (E_RNA)
where:
Base-Base interactions energy: -50.236
where: short stacking energy: -50.236
Base-Backbone interact. energy: -0.006
local terms energy: -79.996328
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -415.774258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.774258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.774258 (E_RNA)
where:
Base-Base interactions energy: -274.475
where: short stacking energy: -148.620
Base-Backbone interact. energy: -0.634
local terms energy: -140.665301
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -25.718
flat angles C4'-P-C4' energy: -29.698
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -43.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -367.616677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.616677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.616677 (E_RNA)
where:
Base-Base interactions energy: -230.671
where: short stacking energy: -128.974
Base-Backbone interact. energy: -0.102
local terms energy: -136.843795
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -25.977
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -35.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -397.074960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.074960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.074960 (E_RNA)
where:
Base-Base interactions energy: -267.731
where: short stacking energy: -133.633
Base-Backbone interact. energy: -0.128
local terms energy: -129.216155
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -28.231
flat angles C4'-P-C4' energy: -27.192
flat angles P-C4'-P energy: -17.531
tors. eta vs tors. theta energy: -33.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -338.581492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.581492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.581492 (E_RNA)
where:
Base-Base interactions energy: -215.610
where: short stacking energy: -108.885
Base-Backbone interact. energy: -0.597
local terms energy: -122.374431
where:
bonds (distance) C4'-P energy: -18.892
bonds (distance) P-C4' energy: -28.583
flat angles C4'-P-C4' energy: -29.749
flat angles P-C4'-P energy: -19.424
tors. eta vs tors. theta energy: -25.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -337.330909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.330909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.330909 (E_RNA)
where:
Base-Base interactions energy: -207.489
where: short stacking energy: -110.402
Base-Backbone interact. energy: -0.084
local terms energy: -129.758191
where:
bonds (distance) C4'-P energy: -29.044
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: -30.802
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: 6, replica: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -265.371265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.371265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.371265 (E_RNA)
where:
Base-Base interactions energy: -157.448
where: short stacking energy: -90.203
Base-Backbone interact. energy: 1.526
local terms energy: -109.449253
where:
bonds (distance) C4'-P energy: -23.177
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -24.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -166.486676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.486676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.486676 (E_RNA)
where:
Base-Base interactions energy: -84.969
where: short stacking energy: -42.140
Base-Backbone interact. energy: 1.375
local terms energy: -82.892005
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -22.547
flat angles C4'-P-C4' energy: -26.213
flat angles P-C4'-P energy: -14.888
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: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -144.563084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.563084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.563084 (E_RNA)
where:
Base-Base interactions energy: -71.380
where: short stacking energy: -53.670
Base-Backbone interact. energy: -0.322
local terms energy: -72.860718
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -7.050
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: 3
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -122.741470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.741470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.741470 (E_RNA)
where:
Base-Base interactions energy: -54.343
where: short stacking energy: -54.343
Base-Backbone interact. energy: -0.276
local terms energy: -68.122508
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -135.881416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.881416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.881416 (E_RNA)
where:
Base-Base interactions energy: -60.612
where: short stacking energy: -49.160
Base-Backbone interact. energy: 2.084
local terms energy: -77.353192
where:
bonds (distance) C4'-P energy: -24.990
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -21.985
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -1.276
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -408.274522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.274522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.274522 (E_RNA)
where:
Base-Base interactions energy: -261.404
where: short stacking energy: -133.805
Base-Backbone interact. energy: -0.163
local terms energy: -146.706981
where:
bonds (distance) C4'-P energy: -25.614
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -28.213
flat angles P-C4'-P energy: -27.258
tors. eta vs tors. theta energy: -40.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -402.644760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.644760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.644760 (E_RNA)
where:
Base-Base interactions energy: -268.230
where: short stacking energy: -125.442
Base-Backbone interact. energy: -0.010
local terms energy: -134.405117
where:
bonds (distance) C4'-P energy: -25.176
bonds (distance) P-C4' energy: -24.097
flat angles C4'-P-C4' energy: -29.574
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: -36.736
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: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -357.797464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.797464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.797464 (E_RNA)
where:
Base-Base interactions energy: -222.014
where: short stacking energy: -120.162
Base-Backbone interact. energy: -0.940
local terms energy: -134.843636
where:
bonds (distance) C4'-P energy: -29.895
bonds (distance) P-C4' energy: -27.646
flat angles C4'-P-C4' energy: -28.665
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -33.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -343.271461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.271461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.271461 (E_RNA)
where:
Base-Base interactions energy: -213.267
where: short stacking energy: -119.126
Base-Backbone interact. energy: 0.206
local terms energy: -130.210313
where:
bonds (distance) C4'-P energy: -22.104
bonds (distance) P-C4' energy: -25.584
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -22.173
tors. eta vs tors. theta energy: -34.613
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: 5, replica: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -327.619361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.619361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.619361 (E_RNA)
where:
Base-Base interactions energy: -208.052
where: short stacking energy: -105.586
Base-Backbone interact. energy: -0.544
local terms energy: -119.023762
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -28.163
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -18.426
tors. eta vs tors. theta energy: -26.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -258.259352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.259352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.259352 (E_RNA)
where:
Base-Base interactions energy: -145.370
where: short stacking energy: -81.370
Base-Backbone interact. energy: -0.494
local terms energy: -112.395823
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -28.540
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -165.724978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.724978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.724978 (E_RNA)
where:
Base-Base interactions energy: -79.277
where: short stacking energy: -48.565
Base-Backbone interact. energy: -0.574
local terms energy: -85.873669
where:
bonds (distance) C4'-P energy: -25.105
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -25.923
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -6.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -155.916755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.916755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.916755 (E_RNA)
where:
Base-Base interactions energy: -64.342
where: short stacking energy: -54.548
Base-Backbone interact. energy: 0.213
local terms energy: -91.788333
where:
bonds (distance) C4'-P energy: -27.504
bonds (distance) P-C4' energy: -26.821
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -13.031
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: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -125.845251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.845251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.845251 (E_RNA)
where:
Base-Base interactions energy: -57.143
where: short stacking energy: -56.990
Base-Backbone interact. energy: 0.146
local terms energy: -68.848204
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -7.132
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: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -128.599618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.599618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.599618 (E_RNA)
where:
Base-Base interactions energy: -48.867
where: short stacking energy: -38.579
Base-Backbone interact. energy: -0.352
local terms energy: -79.381133
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -22.221
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: 1.151
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -411.318473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.318473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.318473 (E_RNA)
where:
Base-Base interactions energy: -281.911
where: short stacking energy: -142.578
Base-Backbone interact. energy: -0.503
local terms energy: -128.904868
where:
bonds (distance) C4'-P energy: -27.920
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -26.684
flat angles P-C4'-P energy: -21.632
tors. eta vs tors. theta energy: -34.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -402.720075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.720075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.720075 (E_RNA)
where:
Base-Base interactions energy: -267.027
where: short stacking energy: -139.565
Base-Backbone interact. energy: -0.514
local terms energy: -135.179574
where:
bonds (distance) C4'-P energy: -25.233
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -29.872
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -43.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -355.259833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.259833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.259833 (E_RNA)
where:
Base-Base interactions energy: -220.987
where: short stacking energy: -129.101
Base-Backbone interact. energy: -0.381
local terms energy: -133.891148
where:
bonds (distance) C4'-P energy: -26.572
bonds (distance) P-C4' energy: -27.784
flat angles C4'-P-C4' energy: -28.139
flat angles P-C4'-P energy: -19.476
tors. eta vs tors. theta energy: -31.920
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: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -328.000079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.000079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.000079 (E_RNA)
where:
Base-Base interactions energy: -197.258
where: short stacking energy: -109.008
Base-Backbone interact. energy: -0.437
local terms energy: -130.304963
where:
bonds (distance) C4'-P energy: -24.882
bonds (distance) P-C4' energy: -29.548
flat angles C4'-P-C4' energy: -26.141
flat angles P-C4'-P energy: -19.423
tors. eta vs tors. theta energy: -30.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -309.045946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.045946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.045946 (E_RNA)
where:
Base-Base interactions energy: -200.976
where: short stacking energy: -103.473
Base-Backbone interact. energy: 0.704
local terms energy: -108.773559
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -26.205
flat angles C4'-P-C4' energy: -25.268
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -22.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -260.170843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.170843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.170843 (E_RNA)
where:
Base-Base interactions energy: -160.701
where: short stacking energy: -80.741
Base-Backbone interact. energy: -0.359
local terms energy: -99.110460
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -168.119744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.119744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.119744 (E_RNA)
where:
Base-Base interactions energy: -79.739
where: short stacking energy: -61.698
Base-Backbone interact. energy: -0.239
local terms energy: -88.141978
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -27.047
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -145.139716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.139716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.139716 (E_RNA)
where:
Base-Base interactions energy: -57.435
where: short stacking energy: -51.693
Base-Backbone interact. energy: -0.660
local terms energy: -87.044659
where:
bonds (distance) C4'-P energy: -23.743
bonds (distance) P-C4' energy: -26.213
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -19.705
tors. eta vs tors. theta energy: -5.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -141.756786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.756786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.756786 (E_RNA)
where:
Base-Base interactions energy: -61.796
where: short stacking energy: -56.924
Base-Backbone interact. energy: -1.945
local terms energy: -78.015483
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -26.501
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -123.087181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.087181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.087181 (E_RNA)
where:
Base-Base interactions energy: -54.320
where: short stacking energy: -46.302
Base-Backbone interact. energy: -0.500
local terms energy: -68.267419
where:
bonds (distance) C4'-P energy: -22.751
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -4.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -411.178490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.178490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.178490 (E_RNA)
where:
Base-Base interactions energy: -273.299
where: short stacking energy: -129.675
Base-Backbone interact. energy: -1.931
local terms energy: -135.949335
where:
bonds (distance) C4'-P energy: -23.056
bonds (distance) P-C4' energy: -25.605
flat angles C4'-P-C4' energy: -27.783
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -39.869
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: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -410.127897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.127897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.127897 (E_RNA)
where:
Base-Base interactions energy: -267.271
where: short stacking energy: -141.516
Base-Backbone interact. energy: -0.010
local terms energy: -142.846579
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -27.719
flat angles C4'-P-C4' energy: -32.177
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -44.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -338.467964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.467964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.467964 (E_RNA)
where:
Base-Base interactions energy: -209.800
where: short stacking energy: -105.424
Base-Backbone interact. energy: -0.166
local terms energy: -128.501158
where:
bonds (distance) C4'-P energy: -29.379
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -24.892
flat angles P-C4'-P energy: -19.209
tors. eta vs tors. theta energy: -30.513
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: 89
Temperature: 1.050000
Total energy: -340.450396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.450396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.450396 (E_RNA)
where:
Base-Base interactions energy: -211.312
where: short stacking energy: -118.129
Base-Backbone interact. energy: -0.706
local terms energy: -128.432459
where:
bonds (distance) C4'-P energy: -22.948
bonds (distance) P-C4' energy: -27.219
flat angles C4'-P-C4' energy: -27.644
flat angles P-C4'-P energy: -18.030
tors. eta vs tors. theta energy: -32.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -312.779150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.779150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.779150 (E_RNA)
where:
Base-Base interactions energy: -193.198
where: short stacking energy: -93.450
Base-Backbone interact. energy: -1.270
local terms energy: -118.310952
where:
bonds (distance) C4'-P energy: -27.112
bonds (distance) P-C4' energy: -22.186
flat angles C4'-P-C4' energy: -26.494
flat angles P-C4'-P energy: -18.017
tors. eta vs tors. theta energy: -24.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -287.742235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.742235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.742235 (E_RNA)
where:
Base-Base interactions energy: -176.804
where: short stacking energy: -101.892
Base-Backbone interact. energy: -0.515
local terms energy: -110.422907
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -28.508
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -155.728899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.728899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.728899 (E_RNA)
where:
Base-Base interactions energy: -63.582
where: short stacking energy: -62.561
Base-Backbone interact. energy: 2.339
local terms energy: -94.485944
where:
bonds (distance) C4'-P energy: -23.701
bonds (distance) P-C4' energy: -25.309
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -10.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -133.344194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.344194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.344194 (E_RNA)
where:
Base-Base interactions energy: -48.940
where: short stacking energy: -48.940
Base-Backbone interact. energy: -1.293
local terms energy: -83.111604
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -23.481
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -144.549404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.549404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.549404 (E_RNA)
where:
Base-Base interactions energy: -55.655
where: short stacking energy: -54.972
Base-Backbone interact. energy: -0.469
local terms energy: -88.425784
where:
bonds (distance) C4'-P energy: -25.352
bonds (distance) P-C4' energy: -24.456
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -132.686038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.686038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.686038 (E_RNA)
where:
Base-Base interactions energy: -78.049
where: short stacking energy: -43.646
Base-Backbone interact. energy: -0.535
local terms energy: -54.101806
where:
bonds (distance) C4'-P energy: -18.252
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -22.774
flat angles P-C4'-P energy: -5.191
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -396.985425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.985425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.985425 (E_RNA)
where:
Base-Base interactions energy: -273.447
where: short stacking energy: -124.503
Base-Backbone interact. energy: -0.395
local terms energy: -123.144083
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -23.024
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -19.251
tors. eta vs tors. theta energy: -37.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -403.984081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.984081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.984081 (E_RNA)
where:
Base-Base interactions energy: -264.889
where: short stacking energy: -119.857
Base-Backbone interact. energy: -0.002
local terms energy: -139.093340
where:
bonds (distance) C4'-P energy: -23.830
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -30.383
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -43.031
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: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -351.169201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.169201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.169201 (E_RNA)
where:
Base-Base interactions energy: -220.505
where: short stacking energy: -111.678
Base-Backbone interact. energy: -0.095
local terms energy: -130.569174
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -29.399
flat angles C4'-P-C4' energy: -27.278
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -29.039
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: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -334.772633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.772633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.772633 (E_RNA)
where:
Base-Base interactions energy: -212.038
where: short stacking energy: -119.675
Base-Backbone interact. energy: -2.598
local terms energy: -120.135964
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -26.243
flat angles C4'-P-C4' energy: -29.650
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -29.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -315.487354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.487354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.487354 (E_RNA)
where:
Base-Base interactions energy: -208.466
where: short stacking energy: -106.767
Base-Backbone interact. energy: -0.022
local terms energy: -106.999635
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -24.867
flat angles P-C4'-P energy: -17.511
tors. eta vs tors. theta energy: -22.581
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: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -276.185938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.185938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.185938 (E_RNA)
where:
Base-Base interactions energy: -159.466
where: short stacking energy: -93.074
Base-Backbone interact. energy: -0.593
local terms energy: -116.126967
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -26.695
flat angles C4'-P-C4' energy: -28.460
flat angles P-C4'-P energy: -17.103
tors. eta vs tors. theta energy: -22.737
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: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -136.909903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.909903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.909903 (E_RNA)
where:
Base-Base interactions energy: -46.865
where: short stacking energy: -36.861
Base-Backbone interact. energy: -0.360
local terms energy: -89.685091
where:
bonds (distance) C4'-P energy: -27.324
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -24.140
flat angles P-C4'-P energy: -16.616
tors. eta vs tors. theta energy: -1.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -144.280520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.280520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.280520 (E_RNA)
where:
Base-Base interactions energy: -59.193
where: short stacking energy: -51.683
Base-Backbone interact. energy: -0.261
local terms energy: -84.826871
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -24.845
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -8.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -174.693263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.693263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.693263 (E_RNA)
where:
Base-Base interactions energy: -73.747
where: short stacking energy: -47.052
Base-Backbone interact. energy: -0.261
local terms energy: -100.685622
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -28.382
flat angles C4'-P-C4' energy: -27.905
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -8.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -125.668752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.668752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.668752 (E_RNA)
where:
Base-Base interactions energy: -66.025
where: short stacking energy: -65.442
Base-Backbone interact. energy: -0.424
local terms energy: -59.220391
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -3.371
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -409.066837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.066837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.066837 (E_RNA)
where:
Base-Base interactions energy: -275.495
where: short stacking energy: -137.049
Base-Backbone interact. energy: -0.041
local terms energy: -133.530965
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -29.388
flat angles P-C4'-P energy: -21.822
tors. eta vs tors. theta energy: -34.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -398.046855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.046855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.046855 (E_RNA)
where:
Base-Base interactions energy: -265.720
where: short stacking energy: -126.318
Base-Backbone interact. energy: -0.313
local terms energy: -132.013987
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -31.892
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -40.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -348.358746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.358746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.358746 (E_RNA)
where:
Base-Base interactions energy: -220.722
where: short stacking energy: -111.808
Base-Backbone interact. energy: -0.288
local terms energy: -127.348824
where:
bonds (distance) C4'-P energy: -23.172
bonds (distance) P-C4' energy: -30.526
flat angles C4'-P-C4' energy: -26.458
flat angles P-C4'-P energy: -15.798
tors. eta vs tors. theta energy: -31.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -341.989973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.989973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.989973 (E_RNA)
where:
Base-Base interactions energy: -209.927
where: short stacking energy: -117.024
Base-Backbone interact. energy: -0.514
local terms energy: -131.549514
where:
bonds (distance) C4'-P energy: -25.700
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -31.257
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: -38.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -304.070241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.070241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.070241 (E_RNA)
where:
Base-Base interactions energy: -188.458
where: short stacking energy: -93.803
Base-Backbone interact. energy: -0.354
local terms energy: -115.258321
where:
bonds (distance) C4'-P energy: -24.252
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -25.169
flat angles P-C4'-P energy: -21.551
tors. eta vs tors. theta energy: -22.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -290.666632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.666632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.666632 (E_RNA)
where:
Base-Base interactions energy: -170.959
where: short stacking energy: -104.198
Base-Backbone interact. energy: -0.125
local terms energy: -119.582376
where:
bonds (distance) C4'-P energy: -28.308
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -33.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -158.711376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.711376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.711376 (E_RNA)
where:
Base-Base interactions energy: -65.655
where: short stacking energy: -65.655
Base-Backbone interact. energy: 0.136
local terms energy: -93.192005
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -22.471
flat angles P-C4'-P energy: -11.479
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: 8, replica: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -142.314277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.314277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.314277 (E_RNA)
where:
Base-Base interactions energy: -62.857
where: short stacking energy: -41.072
Base-Backbone interact. energy: -0.860
local terms energy: -78.596952
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -138.903174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.903174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.903174 (E_RNA)
where:
Base-Base interactions energy: -59.675
where: short stacking energy: -57.799
Base-Backbone interact. energy: -1.215
local terms energy: -78.012927
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -22.808
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -11.785
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: 91
Temperature: 1.350000
Total energy: -124.181800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.181800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.181800 (E_RNA)
where:
Base-Base interactions energy: -34.930
where: short stacking energy: -34.930
Base-Backbone interact. energy: -0.284
local terms energy: -88.967981
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -28.918
flat angles C4'-P-C4' energy: -23.228
flat angles P-C4'-P energy: -16.014
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -412.592561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.592561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.592561 (E_RNA)
where:
Base-Base interactions energy: -271.525
where: short stacking energy: -141.490
Base-Backbone interact. energy: -1.514
local terms energy: -139.554007
where:
bonds (distance) C4'-P energy: -27.618
bonds (distance) P-C4' energy: -25.323
flat angles C4'-P-C4' energy: -29.700
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -43.254
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: 92
Temperature: 0.950000
Total energy: -394.327766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.327766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.327766 (E_RNA)
where:
Base-Base interactions energy: -265.653
where: short stacking energy: -124.211
Base-Backbone interact. energy: -0.313
local terms energy: -128.361838
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -25.734
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -36.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -341.182035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.182035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.182035 (E_RNA)
where:
Base-Base interactions energy: -214.892
where: short stacking energy: -116.593
Base-Backbone interact. energy: -1.321
local terms energy: -124.969215
where:
bonds (distance) C4'-P energy: -23.193
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -24.153
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -35.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -336.705869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.705869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.705869 (E_RNA)
where:
Base-Base interactions energy: -216.147
where: short stacking energy: -109.473
Base-Backbone interact. energy: -0.849
local terms energy: -119.709990
where:
bonds (distance) C4'-P energy: -23.089
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -26.647
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -29.256
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: 5, replica: 10
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -279.016178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.016178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.016178 (E_RNA)
where:
Base-Base interactions energy: -167.697
where: short stacking energy: -96.221
Base-Backbone interact. energy: -0.442
local terms energy: -110.877002
where:
bonds (distance) C4'-P energy: -25.560
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -25.581
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -265.712946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.712946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.712946 (E_RNA)
where:
Base-Base interactions energy: -153.069
where: short stacking energy: -90.164
Base-Backbone interact. energy: -0.379
local terms energy: -112.265456
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -26.477
flat angles C4'-P-C4' energy: -24.815
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -23.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -161.475731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.475731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.475731 (E_RNA)
where:
Base-Base interactions energy: -60.799
where: short stacking energy: -52.214
Base-Backbone interact. energy: -0.286
local terms energy: -100.390956
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -29.039
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -148.472435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.472435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.472435 (E_RNA)
where:
Base-Base interactions energy: -56.510
where: short stacking energy: -54.490
Base-Backbone interact. energy: -1.886
local terms energy: -90.076128
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -26.032
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -10.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -130.458885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.458885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.458885 (E_RNA)
where:
Base-Base interactions energy: -56.052
where: short stacking energy: -55.774
Base-Backbone interact. energy: -0.231
local terms energy: -74.176252
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -133.310749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.310749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.310749 (E_RNA)
where:
Base-Base interactions energy: -49.211
where: short stacking energy: -32.437
Base-Backbone interact. energy: -0.744
local terms energy: -83.355695
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -7.345
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -411.400471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.400471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.400471 (E_RNA)
where:
Base-Base interactions energy: -269.285
where: short stacking energy: -136.747
Base-Backbone interact. energy: 0.265
local terms energy: -142.380256
where:
bonds (distance) C4'-P energy: -23.657
bonds (distance) P-C4' energy: -23.167
flat angles C4'-P-C4' energy: -28.733
flat angles P-C4'-P energy: -22.629
tors. eta vs tors. theta energy: -44.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -401.520767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.520767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.520767 (E_RNA)
where:
Base-Base interactions energy: -272.252
where: short stacking energy: -137.237
Base-Backbone interact. energy: -1.421
local terms energy: -127.848514
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -27.423
flat angles P-C4'-P energy: -22.137
tors. eta vs tors. theta energy: -34.676
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: 1
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -359.771560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.771560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.771560 (E_RNA)
where:
Base-Base interactions energy: -228.039
where: short stacking energy: -124.855
Base-Backbone interact. energy: -0.184
local terms energy: -131.548611
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -28.194
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -38.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -349.090708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.090708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.090708 (E_RNA)
where:
Base-Base interactions energy: -228.083
where: short stacking energy: -124.999
Base-Backbone interact. energy: -0.635
local terms energy: -120.371917
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -27.585
flat angles P-C4'-P energy: -20.193
tors. eta vs tors. theta energy: -31.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -280.155895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.155895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.155895 (E_RNA)
where:
Base-Base interactions energy: -173.663
where: short stacking energy: -91.429
Base-Backbone interact. energy: -0.170
local terms energy: -106.323034
where:
bonds (distance) C4'-P energy: -25.606
bonds (distance) P-C4' energy: -26.416
flat angles C4'-P-C4' energy: -20.361
flat angles P-C4'-P energy: -17.234
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: 6, replica: 7
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -284.435527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.435527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.435527 (E_RNA)
where:
Base-Base interactions energy: -169.486
where: short stacking energy: -109.249
Base-Backbone interact. energy: -0.295
local terms energy: -114.653753
where:
bonds (distance) C4'-P energy: -28.096
bonds (distance) P-C4' energy: -24.860
flat angles C4'-P-C4' energy: -24.411
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -26.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -163.374391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.374391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.374391 (E_RNA)
where:
Base-Base interactions energy: -72.106
where: short stacking energy: -66.463
Base-Backbone interact. energy: -0.267
local terms energy: -91.001444
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -17.916
tors. eta vs tors. theta energy: -9.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -148.381824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.381824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.381824 (E_RNA)
where:
Base-Base interactions energy: -62.211
where: short stacking energy: -54.497
Base-Backbone interact. energy: 0.344
local terms energy: -86.514587
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -137.544374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.544374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.544374 (E_RNA)
where:
Base-Base interactions energy: -55.779
where: short stacking energy: -46.877
Base-Backbone interact. energy: -0.479
local terms energy: -81.285772
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -26.356
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -3.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -134.797304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.797304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.797304 (E_RNA)
where:
Base-Base interactions energy: -63.234
where: short stacking energy: -62.653
Base-Backbone interact. energy: -0.100
local terms energy: -71.463057
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -21.600
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -0.016
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -402.201939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.201939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.201939 (E_RNA)
where:
Base-Base interactions energy: -259.685
where: short stacking energy: -128.341
Base-Backbone interact. energy: -0.576
local terms energy: -141.940996
where:
bonds (distance) C4'-P energy: -25.603
bonds (distance) P-C4' energy: -29.245
flat angles C4'-P-C4' energy: -29.224
flat angles P-C4'-P energy: -21.056
tors. eta vs tors. theta energy: -36.814
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: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -412.185215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.185215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.185215 (E_RNA)
where:
Base-Base interactions energy: -278.756
where: short stacking energy: -138.156
Base-Backbone interact. energy: -0.935
local terms energy: -132.494250
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -28.034
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -40.803
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: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -347.662127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.662127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.662127 (E_RNA)
where:
Base-Base interactions energy: -218.284
where: short stacking energy: -130.872
Base-Backbone interact. energy: 0.549
local terms energy: -129.926995
where:
bonds (distance) C4'-P energy: -28.012
bonds (distance) P-C4' energy: -29.023
flat angles C4'-P-C4' energy: -25.596
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -30.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -345.057656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.057656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.057656 (E_RNA)
where:
Base-Base interactions energy: -217.470
where: short stacking energy: -120.170
Base-Backbone interact. energy: 0.090
local terms energy: -127.678044
where:
bonds (distance) C4'-P energy: -28.106
bonds (distance) P-C4' energy: -21.090
flat angles C4'-P-C4' energy: -26.406
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -37.425
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: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -328.595072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.595072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.595072 (E_RNA)
where:
Base-Base interactions energy: -197.183
where: short stacking energy: -116.581
Base-Backbone interact. energy: -0.660
local terms energy: -130.751418
where:
bonds (distance) C4'-P energy: -22.803
bonds (distance) P-C4' energy: -26.971
flat angles C4'-P-C4' energy: -29.240
flat angles P-C4'-P energy: -19.979
tors. eta vs tors. theta energy: -31.758
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: 7
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -262.086308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.086308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.086308 (E_RNA)
where:
Base-Base interactions energy: -158.499
where: short stacking energy: -98.628
Base-Backbone interact. energy: -0.604
local terms energy: -102.982905
where:
bonds (distance) C4'-P energy: -27.403
bonds (distance) P-C4' energy: -23.830
flat angles C4'-P-C4' energy: -23.205
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -20.854
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: 7, replica: 8
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -148.141095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.141095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.141095 (E_RNA)
where:
Base-Base interactions energy: -56.572
where: short stacking energy: -56.032
Base-Backbone interact. energy: -0.053
local terms energy: -91.515707
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -23.791
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -171.209269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.209269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.209269 (E_RNA)
where:
Base-Base interactions energy: -79.664
where: short stacking energy: -52.376
Base-Backbone interact. energy: -1.230
local terms energy: -90.314925
where:
bonds (distance) C4'-P energy: -21.563
bonds (distance) P-C4' energy: -23.416
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -13.714
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: 9, replica: 3
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -140.663723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.663723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.663723 (E_RNA)
where:
Base-Base interactions energy: -66.878
where: short stacking energy: -36.668
Base-Backbone interact. energy: -1.535
local terms energy: -72.251029
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -22.139
flat angles C4'-P-C4' energy: -25.919
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: 0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -133.448602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.448602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.448602 (E_RNA)
where:
Base-Base interactions energy: -66.594
where: short stacking energy: -33.411
Base-Backbone interact. energy: 3.511
local terms energy: -70.365740
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -20.086
flat angles C4'-P-C4' energy: -23.705
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -400.337969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.337969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.337969 (E_RNA)
where:
Base-Base interactions energy: -271.671
where: short stacking energy: -138.196
Base-Backbone interact. energy: -0.047
local terms energy: -128.620524
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -25.811
flat angles C4'-P-C4' energy: -28.163
flat angles P-C4'-P energy: -20.498
tors. eta vs tors. theta energy: -36.099
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: 95
Temperature: 0.950000
Total energy: -406.499075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.499075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.499075 (E_RNA)
where:
Base-Base interactions energy: -260.125
where: short stacking energy: -132.877
Base-Backbone interact. energy: -0.118
local terms energy: -146.256749
where:
bonds (distance) C4'-P energy: -23.913
bonds (distance) P-C4' energy: -26.711
flat angles C4'-P-C4' energy: -30.729
flat angles P-C4'-P energy: -23.140
tors. eta vs tors. theta energy: -41.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -346.761227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.761227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.761227 (E_RNA)
where:
Base-Base interactions energy: -219.082
where: short stacking energy: -122.158
Base-Backbone interact. energy: 0.216
local terms energy: -127.895530
where:
bonds (distance) C4'-P energy: -25.829
bonds (distance) P-C4' energy: -24.870
flat angles C4'-P-C4' energy: -25.119
flat angles P-C4'-P energy: -19.980
tors. eta vs tors. theta energy: -32.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -356.169994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.169994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.169994 (E_RNA)
where:
Base-Base interactions energy: -227.393
where: short stacking energy: -120.667
Base-Backbone interact. energy: 0.122
local terms energy: -128.898060
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -25.064
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -19.453
tors. eta vs tors. theta energy: -36.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -290.911976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.911976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.911976 (E_RNA)
where:
Base-Base interactions energy: -183.416
where: short stacking energy: -107.292
Base-Backbone interact. energy: 0.243
local terms energy: -107.739027
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -28.731
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -28.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -266.519098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.519098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.519098 (E_RNA)
where:
Base-Base interactions energy: -157.789
where: short stacking energy: -91.035
Base-Backbone interact. energy: -0.361
local terms energy: -108.369059
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -25.641
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -23.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -168.182104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.182104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.182104 (E_RNA)
where:
Base-Base interactions energy: -78.612
where: short stacking energy: -78.612
Base-Backbone interact. energy: 0.356
local terms energy: -89.926162
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -157.120136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.120136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.120136 (E_RNA)
where:
Base-Base interactions energy: -75.339
where: short stacking energy: -74.917
Base-Backbone interact. energy: 0.589
local terms energy: -82.370083
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -24.786
flat angles P-C4'-P energy: -6.345
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: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -141.127637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.127637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.127637 (E_RNA)
where:
Base-Base interactions energy: -41.793
where: short stacking energy: -40.268
Base-Backbone interact. energy: -0.120
local terms energy: -99.215028
where:
bonds (distance) C4'-P energy: -29.295
bonds (distance) P-C4' energy: -23.668
flat angles C4'-P-C4' energy: -26.702
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -6.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -123.058836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.058836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.058836 (E_RNA)
where:
Base-Base interactions energy: -41.361
where: short stacking energy: -35.556
Base-Backbone interact. energy: -0.436
local terms energy: -81.262105
where:
bonds (distance) C4'-P energy: -22.878
bonds (distance) P-C4' energy: -27.851
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: 1.344
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -415.994662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.994662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.994662 (E_RNA)
where:
Base-Base interactions energy: -270.691
where: short stacking energy: -143.593
Base-Backbone interact. energy: -0.942
local terms energy: -144.362302
where:
bonds (distance) C4'-P energy: -24.609
bonds (distance) P-C4' energy: -23.611
flat angles C4'-P-C4' energy: -27.331
flat angles P-C4'-P energy: -23.586
tors. eta vs tors. theta energy: -45.226
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: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -408.066000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.066000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.066000 (E_RNA)
where:
Base-Base interactions energy: -270.339
where: short stacking energy: -135.776
Base-Backbone interact. energy: -0.264
local terms energy: -137.463287
where:
bonds (distance) C4'-P energy: -28.505
bonds (distance) P-C4' energy: -22.061
flat angles C4'-P-C4' energy: -31.689
flat angles P-C4'-P energy: -17.205
tors. eta vs tors. theta energy: -38.003
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: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -364.366597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.366597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.366597 (E_RNA)
where:
Base-Base interactions energy: -226.548
where: short stacking energy: -122.710
Base-Backbone interact. energy: -0.288
local terms energy: -137.530814
where:
bonds (distance) C4'-P energy: -27.407
bonds (distance) P-C4' energy: -29.188
flat angles C4'-P-C4' energy: -29.534
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -34.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -332.314800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.314800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.314800 (E_RNA)
where:
Base-Base interactions energy: -212.693
where: short stacking energy: -111.328
Base-Backbone interact. energy: 0.285
local terms energy: -119.907087
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -27.536
flat angles C4'-P-C4' energy: -24.938
flat angles P-C4'-P energy: -20.104
tors. eta vs tors. theta energy: -27.494
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: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -315.919081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.919081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.919081 (E_RNA)
where:
Base-Base interactions energy: -188.514
where: short stacking energy: -97.774
Base-Backbone interact. energy: -0.599
local terms energy: -126.806309
where:
bonds (distance) C4'-P energy: -22.780
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -28.641
flat angles P-C4'-P energy: -22.020
tors. eta vs tors. theta energy: -29.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -275.803631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.803631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.803631 (E_RNA)
where:
Base-Base interactions energy: -166.442
where: short stacking energy: -85.458
Base-Backbone interact. energy: -0.456
local terms energy: -108.905544
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -23.296
flat angles P-C4'-P energy: -17.835
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -164.649953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.649953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.649953 (E_RNA)
where:
Base-Base interactions energy: -63.584
where: short stacking energy: -62.213
Base-Backbone interact. energy: -0.020
local terms energy: -101.046350
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -25.144
flat angles C4'-P-C4' energy: -25.816
flat angles P-C4'-P energy: -17.391
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: 8, replica: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -151.333135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.333135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.333135 (E_RNA)
where:
Base-Base interactions energy: -77.653
where: short stacking energy: -40.222
Base-Backbone interact. energy: -0.598
local terms energy: -73.082783
where:
bonds (distance) C4'-P energy: -26.936
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -21.587
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: 3.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -145.307703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.307703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.307703 (E_RNA)
where:
Base-Base interactions energy: -71.089
where: short stacking energy: -47.450
Base-Backbone interact. energy: -0.600
local terms energy: -73.619420
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -26.045
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: 0.097
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: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -123.583552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.583552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.583552 (E_RNA)
where:
Base-Base interactions energy: -47.476
where: short stacking energy: -45.607
Base-Backbone interact. energy: -0.417
local terms energy: -75.690711
where:
bonds (distance) C4'-P energy: -23.933
bonds (distance) P-C4' energy: -22.300
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -4.568
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -413.653090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.653090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.653090 (E_RNA)
where:
Base-Base interactions energy: -268.564
where: short stacking energy: -135.600
Base-Backbone interact. energy: -1.063
local terms energy: -144.026116
where:
bonds (distance) C4'-P energy: -21.180
bonds (distance) P-C4' energy: -26.751
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -20.121
tors. eta vs tors. theta energy: -44.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -404.481805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.481805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.481805 (E_RNA)
where:
Base-Base interactions energy: -274.881
where: short stacking energy: -137.957
Base-Backbone interact. energy: -0.166
local terms energy: -129.434937
where:
bonds (distance) C4'-P energy: -24.447
bonds (distance) P-C4' energy: -25.043
flat angles C4'-P-C4' energy: -23.994
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -38.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -358.647813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.647813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.647813 (E_RNA)
where:
Base-Base interactions energy: -227.747
where: short stacking energy: -119.500
Base-Backbone interact. energy: -0.954
local terms energy: -129.946660
where:
bonds (distance) C4'-P energy: -24.088
bonds (distance) P-C4' energy: -23.924
flat angles C4'-P-C4' energy: -28.967
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -37.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -352.315313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.315313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.315313 (E_RNA)
where:
Base-Base interactions energy: -226.862
where: short stacking energy: -128.585
Base-Backbone interact. energy: -1.070
local terms energy: -124.383529
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -24.027
flat angles C4'-P-C4' energy: -27.704
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -37.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -289.411088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.411088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.411088 (E_RNA)
where:
Base-Base interactions energy: -179.739
where: short stacking energy: -100.808
Base-Backbone interact. energy: -0.407
local terms energy: -109.265090
where:
bonds (distance) C4'-P energy: -22.195
bonds (distance) P-C4' energy: -27.040
flat angles C4'-P-C4' energy: -27.738
flat angles P-C4'-P energy: -15.591
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: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -262.714641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.714641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.714641 (E_RNA)
where:
Base-Base interactions energy: -156.651
where: short stacking energy: -77.111
Base-Backbone interact. energy: -0.109
local terms energy: -105.954833
where:
bonds (distance) C4'-P energy: -23.126
bonds (distance) P-C4' energy: -25.934
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -16.952
tors. eta vs tors. theta energy: -20.645
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: 7, replica: 8
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -161.676813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.676813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.676813 (E_RNA)
where:
Base-Base interactions energy: -61.893
where: short stacking energy: -59.913
Base-Backbone interact. energy: -0.139
local terms energy: -99.645003
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -24.993
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -10.941
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: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -136.027203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.027203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.027203 (E_RNA)
where:
Base-Base interactions energy: -65.255
where: short stacking energy: -58.989
Base-Backbone interact. energy: -0.418
local terms energy: -70.353923
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -9.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -125.820068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.820068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.820068 (E_RNA)
where:
Base-Base interactions energy: -43.764
where: short stacking energy: -26.899
Base-Backbone interact. energy: -1.630
local terms energy: -80.426187
where:
bonds (distance) C4'-P energy: -21.793
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -18.024
tors. eta vs tors. theta energy: 1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -129.323024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.323024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.323024 (E_RNA)
where:
Base-Base interactions energy: -56.393
where: short stacking energy: -52.710
Base-Backbone interact. energy: -0.093
local terms energy: -72.836935
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -7.541
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -418.784942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.784942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.784942 (E_RNA)
where:
Base-Base interactions energy: -276.968
where: short stacking energy: -145.261
Base-Backbone interact. energy: -0.248
local terms energy: -141.568375
where:
bonds (distance) C4'-P energy: -23.798
bonds (distance) P-C4' energy: -25.127
flat angles C4'-P-C4' energy: -30.029
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -41.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -405.252181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.252181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.252181 (E_RNA)
where:
Base-Base interactions energy: -269.562
where: short stacking energy: -143.505
Base-Backbone interact. energy: -0.419
local terms energy: -135.271058
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -22.559
flat angles C4'-P-C4' energy: -27.152
flat angles P-C4'-P energy: -19.540
tors. eta vs tors. theta energy: -43.475
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: 98
Temperature: 1.000000
Total energy: -351.900814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.900814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.900814 (E_RNA)
where:
Base-Base interactions energy: -228.608
where: short stacking energy: -117.672
Base-Backbone interact. energy: -1.709
local terms energy: -121.583600
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -23.783
flat angles P-C4'-P energy: -19.738
tors. eta vs tors. theta energy: -28.004
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: 4, replica: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -338.307871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.307871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.307871 (E_RNA)
where:
Base-Base interactions energy: -218.845
where: short stacking energy: -124.499
Base-Backbone interact. energy: -0.384
local terms energy: -119.078766
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -25.179
flat angles C4'-P-C4' energy: -25.828
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -30.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -272.627713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.627713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.627713 (E_RNA)
where:
Base-Base interactions energy: -161.807
where: short stacking energy: -91.448
Base-Backbone interact. energy: 2.061
local terms energy: -112.881912
where:
bonds (distance) C4'-P energy: -22.760
bonds (distance) P-C4' energy: -20.456
flat angles C4'-P-C4' energy: -23.261
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -26.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -274.783072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.783072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.783072 (E_RNA)
where:
Base-Base interactions energy: -161.652
where: short stacking energy: -99.202
Base-Backbone interact. energy: -0.678
local terms energy: -112.452531
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -24.720
flat angles C4'-P-C4' energy: -26.116
flat angles P-C4'-P energy: -18.136
tors. eta vs tors. theta energy: -23.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -165.344048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.344048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.344048 (E_RNA)
where:
Base-Base interactions energy: -71.204
where: short stacking energy: -60.826
Base-Backbone interact. energy: -0.551
local terms energy: -93.589273
where:
bonds (distance) C4'-P energy: -23.934
bonds (distance) P-C4' energy: -25.132
flat angles C4'-P-C4' energy: -22.104
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -6.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -151.051908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.051908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.051908 (E_RNA)
where:
Base-Base interactions energy: -63.966
where: short stacking energy: -58.418
Base-Backbone interact. energy: -0.342
local terms energy: -86.744429
where:
bonds (distance) C4'-P energy: -24.042
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -7.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -132.848915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.848915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.848915 (E_RNA)
where:
Base-Base interactions energy: -50.960
where: short stacking energy: -38.992
Base-Backbone interact. energy: -0.120
local terms energy: -81.769139
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -126.903820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.903820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.903820 (E_RNA)
where:
Base-Base interactions energy: -52.783
where: short stacking energy: -47.922
Base-Backbone interact. energy: -0.827
local terms energy: -73.292971
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -29.073
flat angles C4'-P-C4' energy: -8.939
flat angles P-C4'-P energy: -12.672
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -421.991295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.991295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.991295 (E_RNA)
where:
Base-Base interactions energy: -279.753
where: short stacking energy: -137.902
Base-Backbone interact. energy: -1.307
local terms energy: -140.930882
where:
bonds (distance) C4'-P energy: -26.905
bonds (distance) P-C4' energy: -27.955
flat angles C4'-P-C4' energy: -28.869
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -39.340
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: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -422.990652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.990652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.990652 (E_RNA)
where:
Base-Base interactions energy: -280.766
where: short stacking energy: -140.549
Base-Backbone interact. energy: -0.003
local terms energy: -142.222055
where:
bonds (distance) C4'-P energy: -27.056
bonds (distance) P-C4' energy: -26.850
flat angles C4'-P-C4' energy: -27.719
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: -40.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -354.305474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.305474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.305474 (E_RNA)
where:
Base-Base interactions energy: -223.775
where: short stacking energy: -120.985
Base-Backbone interact. energy: 0.648
local terms energy: -131.178782
where:
bonds (distance) C4'-P energy: -25.292
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -30.314
flat angles P-C4'-P energy: -20.817
tors. eta vs tors. theta energy: -31.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -329.542301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.542301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.542301 (E_RNA)
where:
Base-Base interactions energy: -216.954
where: short stacking energy: -119.531
Base-Backbone interact. energy: -0.205
local terms energy: -112.383415
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -27.970
flat angles C4'-P-C4' energy: -19.746
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -26.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -279.846227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.846227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.846227 (E_RNA)
where:
Base-Base interactions energy: -163.272
where: short stacking energy: -84.300
Base-Backbone interact. energy: -0.773
local terms energy: -115.801458
where:
bonds (distance) C4'-P energy: -27.975
bonds (distance) P-C4' energy: -31.297
flat angles C4'-P-C4' energy: -25.915
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -18.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -245.429367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.429367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.429367 (E_RNA)
where:
Base-Base interactions energy: -147.016
where: short stacking energy: -72.506
Base-Backbone interact. energy: -0.530
local terms energy: -97.882985
where:
bonds (distance) C4'-P energy: -23.755
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -25.787
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -14.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -171.296604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.296604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.296604 (E_RNA)
where:
Base-Base interactions energy: -72.220
where: short stacking energy: -72.220
Base-Backbone interact. energy: -0.012
local terms energy: -99.064948
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -27.729
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -135.735659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.735659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.735659 (E_RNA)
where:
Base-Base interactions energy: -50.403
where: short stacking energy: -49.720
Base-Backbone interact. energy: -0.279
local terms energy: -85.053105
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -22.222
flat angles P-C4'-P energy: -15.334
tors. eta vs tors. theta energy: -7.583
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: 99
Temperature: 1.300000
Total energy: -120.362445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.362445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.362445 (E_RNA)
where:
Base-Base interactions energy: -50.417
where: short stacking energy: -43.159
Base-Backbone interact. energy: 1.919
local terms energy: -71.864744
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -128.878734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.878734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.878734 (E_RNA)
where:
Base-Base interactions energy: -61.068
where: short stacking energy: -48.901
Base-Backbone interact. energy: -0.023
local terms energy: -67.787806
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -11.993
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -417.160521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.160521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.160521 (E_RNA)
where:
Base-Base interactions energy: -278.009
where: short stacking energy: -130.900
Base-Backbone interact. energy: -1.905
local terms energy: -137.246710
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -28.515
flat angles C4'-P-C4' energy: -27.274
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: -39.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -407.214874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.214874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.214874 (E_RNA)
where:
Base-Base interactions energy: -270.819
where: short stacking energy: -120.332
Base-Backbone interact. energy: -0.113
local terms energy: -136.283586
where:
bonds (distance) C4'-P energy: -28.518
bonds (distance) P-C4' energy: -26.667
flat angles C4'-P-C4' energy: -27.396
flat angles P-C4'-P energy: -19.705
tors. eta vs tors. theta energy: -33.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -344.788285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.788285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.788285 (E_RNA)
where:
Base-Base interactions energy: -216.099
where: short stacking energy: -115.569
Base-Backbone interact. energy: 0.909
local terms energy: -129.598193
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -29.006
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -22.105
tors. eta vs tors. theta energy: -32.429
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: 100
Temperature: 1.050000
Total energy: -344.774833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.774833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.774833 (E_RNA)
where:
Base-Base interactions energy: -223.400
where: short stacking energy: -122.914
Base-Backbone interact. energy: -1.081
local terms energy: -120.293961
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -25.209
flat angles C4'-P-C4' energy: -23.862
flat angles P-C4'-P energy: -16.910
tors. eta vs tors. theta energy: -35.068
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: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -267.385613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.385613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.385613 (E_RNA)
where:
Base-Base interactions energy: -149.234
where: short stacking energy: -89.375
Base-Backbone interact. energy: -0.285
local terms energy: -117.866596
where:
bonds (distance) C4'-P energy: -28.300
bonds (distance) P-C4' energy: -21.182
flat angles C4'-P-C4' energy: -29.619
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -22.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -234.510618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.510618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.510618 (E_RNA)
where:
Base-Base interactions energy: -133.758
where: short stacking energy: -73.428
Base-Backbone interact. energy: -1.503
local terms energy: -99.249178
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -26.845
flat angles C4'-P-C4' energy: -23.149
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -159.176721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.176721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.176721 (E_RNA)
where:
Base-Base interactions energy: -76.248
where: short stacking energy: -75.627
Base-Backbone interact. energy: -0.048
local terms energy: -82.880472
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -20.099
flat angles C4'-P-C4' energy: -20.608
flat angles P-C4'-P energy: -13.266
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: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -149.719674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.719674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.719674 (E_RNA)
where:
Base-Base interactions energy: -64.644
where: short stacking energy: -63.261
Base-Backbone interact. energy: 0.775
local terms energy: -85.850156
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -10.766
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: 5
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -150.158425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.158425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.158425 (E_RNA)
where:
Base-Base interactions energy: -62.488
where: short stacking energy: -62.488
Base-Backbone interact. energy: 0.162
local terms energy: -87.832400
where:
bonds (distance) C4'-P energy: -20.394
bonds (distance) P-C4' energy: -27.032
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -9.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -139.096122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.096122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.096122 (E_RNA)
where:
Base-Base interactions energy: -53.554
where: short stacking energy: -51.502
Base-Backbone interact. energy: -0.426
local terms energy: -85.116192
where:
bonds (distance) C4'-P energy: -26.546
bonds (distance) P-C4' energy: -26.804
flat angles C4'-P-C4' energy: -22.818
flat angles P-C4'-P energy: -3.870
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -411.047249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.047249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.047249 (E_RNA)
where:
Base-Base interactions energy: -268.937
where: short stacking energy: -146.038
Base-Backbone interact. energy: -0.289
local terms energy: -141.820499
where:
bonds (distance) C4'-P energy: -25.105
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -30.337
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -42.569
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: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -418.652638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.652638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.652638 (E_RNA)
where:
Base-Base interactions energy: -280.103
where: short stacking energy: -125.526
Base-Backbone interact. energy: -0.363
local terms energy: -138.185883
where:
bonds (distance) C4'-P energy: -29.714
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -26.366
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: -35.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -355.556841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.556841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.556841 (E_RNA)
where:
Base-Base interactions energy: -234.014
where: short stacking energy: -117.740
Base-Backbone interact. energy: -2.619
local terms energy: -118.924136
where:
bonds (distance) C4'-P energy: -24.186
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -21.979
flat angles P-C4'-P energy: -18.312
tors. eta vs tors. theta energy: -32.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -352.227663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.227663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.227663 (E_RNA)
where:
Base-Base interactions energy: -223.888
where: short stacking energy: -119.455
Base-Backbone interact. energy: -1.429
local terms energy: -126.910421
where:
bonds (distance) C4'-P energy: -22.538
bonds (distance) P-C4' energy: -27.074
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -16.297
tors. eta vs tors. theta energy: -33.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -288.363250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.363250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.363250 (E_RNA)
where:
Base-Base interactions energy: -162.329
where: short stacking energy: -100.346
Base-Backbone interact. energy: -1.400
local terms energy: -124.634521
where:
bonds (distance) C4'-P energy: -23.902
bonds (distance) P-C4' energy: -22.601
flat angles C4'-P-C4' energy: -31.585
flat angles P-C4'-P energy: -21.048
tors. eta vs tors. theta energy: -25.498
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: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -268.570663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.570663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.570663 (E_RNA)
where:
Base-Base interactions energy: -157.808
where: short stacking energy: -88.506
Base-Backbone interact. energy: -0.225
local terms energy: -110.537097
where:
bonds (distance) C4'-P energy: -28.302
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -26.601
flat angles P-C4'-P energy: -19.234
tors. eta vs tors. theta energy: -16.125
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: 8
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -155.676337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.676337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.676337 (E_RNA)
where:
Base-Base interactions energy: -50.994
where: short stacking energy: -50.722
Base-Backbone interact. energy: -0.381
local terms energy: -104.301571
where:
bonds (distance) C4'-P energy: -26.730
bonds (distance) P-C4' energy: -28.773
flat angles C4'-P-C4' energy: -24.274
flat angles P-C4'-P energy: -16.174
tors. eta vs tors. theta energy: -8.351
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: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -155.677797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.677797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.677797 (E_RNA)
where:
Base-Base interactions energy: -64.772
where: short stacking energy: -62.369
Base-Backbone interact. energy: -1.038
local terms energy: -89.867480
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -23.202
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -132.685946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.685946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.685946 (E_RNA)
where:
Base-Base interactions energy: -49.073
where: short stacking energy: -48.985
Base-Backbone interact. energy: -0.641
local terms energy: -82.972614
where:
bonds (distance) C4'-P energy: -22.813
bonds (distance) P-C4' energy: -24.532
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -4.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -119.746266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.746266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.746266 (E_RNA)
where:
Base-Base interactions energy: -42.287
where: short stacking energy: -39.603
Base-Backbone interact. energy: 1.391
local terms energy: -78.849789
where:
bonds (distance) C4'-P energy: -24.850
bonds (distance) P-C4' energy: -19.140
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -5.665
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -416.900295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.900295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.900295 (E_RNA)
where:
Base-Base interactions energy: -280.360
where: short stacking energy: -142.697
Base-Backbone interact. energy: -0.947
local terms energy: -135.592376
where:
bonds (distance) C4'-P energy: -24.980
bonds (distance) P-C4' energy: -25.171
flat angles C4'-P-C4' energy: -31.616
flat angles P-C4'-P energy: -19.619
tors. eta vs tors. theta energy: -34.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -411.570085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.570085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.570085 (E_RNA)
where:
Base-Base interactions energy: -274.661
where: short stacking energy: -128.308
Base-Backbone interact. energy: -0.601
local terms energy: -136.307189
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -24.917
flat angles C4'-P-C4' energy: -26.486
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: -43.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -355.235001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.235001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.235001 (E_RNA)
where:
Base-Base interactions energy: -215.817
where: short stacking energy: -128.615
Base-Backbone interact. energy: -0.305
local terms energy: -139.112690
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -21.656
tors. eta vs tors. theta energy: -39.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -335.061893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.061893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.061893 (E_RNA)
where:
Base-Base interactions energy: -207.435
where: short stacking energy: -115.512
Base-Backbone interact. energy: -0.305
local terms energy: -127.321848
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -29.574
flat angles C4'-P-C4' energy: -23.569
flat angles P-C4'-P energy: -19.540
tors. eta vs tors. theta energy: -32.405
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: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -266.370726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.370726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.370726 (E_RNA)
where:
Base-Base interactions energy: -152.253
where: short stacking energy: -92.930
Base-Backbone interact. energy: 0.027
local terms energy: -114.144819
where:
bonds (distance) C4'-P energy: -27.548
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -27.262
flat angles P-C4'-P energy: -18.916
tors. eta vs tors. theta energy: -19.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -266.468716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.468716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.468716 (E_RNA)
where:
Base-Base interactions energy: -163.109
where: short stacking energy: -98.909
Base-Backbone interact. energy: -0.066
local terms energy: -103.293829
where:
bonds (distance) C4'-P energy: -24.042
bonds (distance) P-C4' energy: -21.916
flat angles C4'-P-C4' energy: -23.711
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -164.859047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.859047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.859047 (E_RNA)
where:
Base-Base interactions energy: -69.061
where: short stacking energy: -68.805
Base-Backbone interact. energy: -0.093
local terms energy: -95.705422
where:
bonds (distance) C4'-P energy: -23.942
bonds (distance) P-C4' energy: -25.018
flat angles C4'-P-C4' energy: -23.042
flat angles P-C4'-P energy: -6.221
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: 8, replica: 8
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -147.565423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.565423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.565423 (E_RNA)
where:
Base-Base interactions energy: -47.707
where: short stacking energy: -46.674
Base-Backbone interact. energy: -0.183
local terms energy: -99.674865
where:
bonds (distance) C4'-P energy: -23.368
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -23.118
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: 9, replica: 3
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -143.415766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.415766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.415766 (E_RNA)
where:
Base-Base interactions energy: -58.340
where: short stacking energy: -57.696
Base-Backbone interact. energy: 0.142
local terms energy: -85.217465
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -20.509
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -10.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -124.457939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.457939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.457939 (E_RNA)
where:
Base-Base interactions energy: -54.019
where: short stacking energy: -42.181
Base-Backbone interact. energy: -0.665
local terms energy: -69.773158
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -22.454
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -0.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -419.384075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.384075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.384075 (E_RNA)
where:
Base-Base interactions energy: -277.717
where: short stacking energy: -134.483
Base-Backbone interact. energy: -0.355
local terms energy: -141.312437
where:
bonds (distance) C4'-P energy: -30.067
bonds (distance) P-C4' energy: -25.404
flat angles C4'-P-C4' energy: -30.627
flat angles P-C4'-P energy: -18.842
tors. eta vs tors. theta energy: -36.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -410.159126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.159126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.159126 (E_RNA)
where:
Base-Base interactions energy: -271.593
where: short stacking energy: -138.861
Base-Backbone interact. energy: -0.075
local terms energy: -138.490354
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -27.321
flat angles C4'-P-C4' energy: -28.998
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -40.272
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: 1
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -355.250673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.250673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.250673 (E_RNA)
where:
Base-Base interactions energy: -230.078
where: short stacking energy: -136.445
Base-Backbone interact. energy: -0.422
local terms energy: -124.751358
where:
bonds (distance) C4'-P energy: -22.862
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -28.882
flat angles P-C4'-P energy: -19.292
tors. eta vs tors. theta energy: -38.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -287.136311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.136311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.136311 (E_RNA)
where:
Base-Base interactions energy: -169.677
where: short stacking energy: -101.595
Base-Backbone interact. energy: -0.056
local terms energy: -117.402958
where:
bonds (distance) C4'-P energy: -20.906
bonds (distance) P-C4' energy: -31.483
flat angles C4'-P-C4' energy: -26.983
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -24.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -315.497002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.497002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.497002 (E_RNA)
where:
Base-Base interactions energy: -196.982
where: short stacking energy: -102.265
Base-Backbone interact. energy: -0.457
local terms energy: -118.057591
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -29.946
flat angles P-C4'-P energy: -19.400
tors. eta vs tors. theta energy: -27.433
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: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -294.234989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.234989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.234989 (E_RNA)
where:
Base-Base interactions energy: -184.414
where: short stacking energy: -85.029
Base-Backbone interact. energy: -1.084
local terms energy: -108.736635
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -20.377
flat angles C4'-P-C4' energy: -28.696
flat angles P-C4'-P energy: -16.766
tors. eta vs tors. theta energy: -21.463
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: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -179.771923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.771923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.771923 (E_RNA)
where:
Base-Base interactions energy: -101.790
where: short stacking energy: -62.154
Base-Backbone interact. energy: -0.547
local terms energy: -77.434540
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -23.835
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -8.430
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: 3
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -122.741220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.741220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.741220 (E_RNA)
where:
Base-Base interactions energy: -44.663
where: short stacking energy: -44.663
Base-Backbone interact. energy: -0.953
local terms energy: -77.125946
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: 1.551
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: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -139.921398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.921398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.921398 (E_RNA)
where:
Base-Base interactions energy: -54.404
where: short stacking energy: -56.704
Base-Backbone interact. energy: 1.147
local terms energy: -86.664912
where:
bonds (distance) C4'-P energy: -22.354
bonds (distance) P-C4' energy: -28.998
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -128.294927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.294927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.294927 (E_RNA)
where:
Base-Base interactions energy: -48.420
where: short stacking energy: -48.920
Base-Backbone interact. energy: -0.474
local terms energy: -79.400101
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: 0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -421.753933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.753933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.753933 (E_RNA)
where:
Base-Base interactions energy: -276.577
where: short stacking energy: -129.829
Base-Backbone interact. energy: -0.100
local terms energy: -145.077093
where:
bonds (distance) C4'-P energy: -25.747
bonds (distance) P-C4' energy: -28.914
flat angles C4'-P-C4' energy: -31.180
flat angles P-C4'-P energy: -20.048
tors. eta vs tors. theta energy: -39.188
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: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -413.745596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.745596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.745596 (E_RNA)
where:
Base-Base interactions energy: -268.364
where: short stacking energy: -136.116
Base-Backbone interact. energy: -0.768
local terms energy: -144.613835
where:
bonds (distance) C4'-P energy: -26.240
bonds (distance) P-C4' energy: -31.704
flat angles C4'-P-C4' energy: -30.236
flat angles P-C4'-P energy: -17.183
tors. eta vs tors. theta energy: -39.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -344.235187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.235187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.235187 (E_RNA)
where:
Base-Base interactions energy: -205.289
where: short stacking energy: -107.886
Base-Backbone interact. energy: -0.254
local terms energy: -138.692415
where:
bonds (distance) C4'-P energy: -28.823
bonds (distance) P-C4' energy: -27.822
flat angles C4'-P-C4' energy: -25.814
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: -36.851
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: 4, replica: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -289.551364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.551364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.551364 (E_RNA)
where:
Base-Base interactions energy: -171.142
where: short stacking energy: -104.863
Base-Backbone interact. energy: 0.313
local terms energy: -118.722463
where:
bonds (distance) C4'-P energy: -29.478
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -25.673
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -21.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -359.080656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.080656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.080656 (E_RNA)
where:
Base-Base interactions energy: -233.536
where: short stacking energy: -121.208
Base-Backbone interact. energy: -0.551
local terms energy: -124.994221
where:
bonds (distance) C4'-P energy: -24.570
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -23.711
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -35.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -316.375798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.375798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.375798 (E_RNA)
where:
Base-Base interactions energy: -203.954
where: short stacking energy: -105.168
Base-Backbone interact. energy: -0.683
local terms energy: -111.738365
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -26.428
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -25.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -184.300763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.300763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.300763 (E_RNA)
where:
Base-Base interactions energy: -74.703
where: short stacking energy: -63.686
Base-Backbone interact. energy: -0.103
local terms energy: -109.494813
where:
bonds (distance) C4'-P energy: -23.478
bonds (distance) P-C4' energy: -28.086
flat angles C4'-P-C4' energy: -25.869
flat angles P-C4'-P energy: -15.953
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: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -140.540198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.540198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.540198 (E_RNA)
where:
Base-Base interactions energy: -57.511
where: short stacking energy: -45.522
Base-Backbone interact. energy: 0.497
local terms energy: -83.525737
where:
bonds (distance) C4'-P energy: -26.793
bonds (distance) P-C4' energy: -22.996
flat angles C4'-P-C4' energy: -26.165
flat angles P-C4'-P energy: -5.810
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: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -134.158996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.158996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.158996 (E_RNA)
where:
Base-Base interactions energy: -53.932
where: short stacking energy: -47.528
Base-Backbone interact. energy: -0.908
local terms energy: -79.318494
where:
bonds (distance) C4'-P energy: -27.713
bonds (distance) P-C4' energy: -24.041
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -12.511
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: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -129.670716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.670716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.670716 (E_RNA)
where:
Base-Base interactions energy: -51.447
where: short stacking energy: -51.647
Base-Backbone interact. energy: -0.054
local terms energy: -78.169954
where:
bonds (distance) C4'-P energy: -22.473
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -22.179
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -5.083
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -416.070048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.070048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.070048 (E_RNA)
where:
Base-Base interactions energy: -276.676
where: short stacking energy: -135.796
Base-Backbone interact. energy: -0.264
local terms energy: -139.130313
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -25.771
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -23.342
tors. eta vs tors. theta energy: -39.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -368.412457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.412457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.412457 (E_RNA)
where:
Base-Base interactions energy: -229.092
where: short stacking energy: -124.263
Base-Backbone interact. energy: -0.062
local terms energy: -139.258346
where:
bonds (distance) C4'-P energy: -24.620
bonds (distance) P-C4' energy: -29.080
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: -38.935
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: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -393.239692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.239692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.239692 (E_RNA)
where:
Base-Base interactions energy: -255.828
where: short stacking energy: -135.430
Base-Backbone interact. energy: -0.029
local terms energy: -137.382162
where:
bonds (distance) C4'-P energy: -23.996
bonds (distance) P-C4' energy: -22.934
flat angles C4'-P-C4' energy: -32.597
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -40.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -361.721977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.721977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.721977 (E_RNA)
where:
Base-Base interactions energy: -228.087
where: short stacking energy: -117.221
Base-Backbone interact. energy: -0.627
local terms energy: -133.007973
where:
bonds (distance) C4'-P energy: -24.634
bonds (distance) P-C4' energy: -30.312
flat angles C4'-P-C4' energy: -26.516
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -33.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -282.051796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.051796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.051796 (E_RNA)
where:
Base-Base interactions energy: -167.185
where: short stacking energy: -111.169
Base-Backbone interact. energy: -0.497
local terms energy: -114.370030
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -24.631
flat angles C4'-P-C4' energy: -24.998
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -26.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -321.493419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.493419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.493419 (E_RNA)
where:
Base-Base interactions energy: -204.974
where: short stacking energy: -94.133
Base-Backbone interact. energy: -0.086
local terms energy: -116.433323
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -25.722
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -27.671
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: 105
Temperature: 1.200000
Total energy: -160.875967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.875967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.875967 (E_RNA)
where:
Base-Base interactions energy: -66.381
where: short stacking energy: -61.203
Base-Backbone interact. energy: -1.291
local terms energy: -93.203708
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -28.486
flat angles C4'-P-C4' energy: -26.049
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -8.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -153.404586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.404586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.404586 (E_RNA)
where:
Base-Base interactions energy: -59.799
where: short stacking energy: -56.647
Base-Backbone interact. energy: -0.123
local terms energy: -93.482354
where:
bonds (distance) C4'-P energy: -23.782
bonds (distance) P-C4' energy: -24.097
flat angles C4'-P-C4' energy: -27.292
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -6.324
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: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -132.684287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.684287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.684287 (E_RNA)
where:
Base-Base interactions energy: -52.366
where: short stacking energy: -32.605
Base-Backbone interact. energy: -0.814
local terms energy: -79.504809
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -125.826977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.826977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.826977 (E_RNA)
where:
Base-Base interactions energy: -48.808
where: short stacking energy: -47.088
Base-Backbone interact. energy: -0.198
local terms energy: -76.821476
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -14.969
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -410.059589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.059589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.059589 (E_RNA)
where:
Base-Base interactions energy: -278.913
where: short stacking energy: -137.957
Base-Backbone interact. energy: -0.279
local terms energy: -130.867478
where:
bonds (distance) C4'-P energy: -19.959
bonds (distance) P-C4' energy: -25.121
flat angles C4'-P-C4' energy: -27.026
flat angles P-C4'-P energy: -21.727
tors. eta vs tors. theta energy: -37.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -368.902303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.902303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.902303 (E_RNA)
where:
Base-Base interactions energy: -236.261
where: short stacking energy: -128.321
Base-Backbone interact. energy: -0.419
local terms energy: -132.221796
where:
bonds (distance) C4'-P energy: -24.302
bonds (distance) P-C4' energy: -27.764
flat angles C4'-P-C4' energy: -28.139
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -34.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -414.399033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.399033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.399033 (E_RNA)
where:
Base-Base interactions energy: -270.415
where: short stacking energy: -139.935
Base-Backbone interact. energy: -0.488
local terms energy: -143.495836
where:
bonds (distance) C4'-P energy: -26.406
bonds (distance) P-C4' energy: -27.174
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -18.868
tors. eta vs tors. theta energy: -42.763
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: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -347.155183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.155183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.155183 (E_RNA)
where:
Base-Base interactions energy: -223.095
where: short stacking energy: -112.494
Base-Backbone interact. energy: 1.032
local terms energy: -125.092575
where:
bonds (distance) C4'-P energy: -24.245
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -28.339
flat angles P-C4'-P energy: -16.789
tors. eta vs tors. theta energy: -34.305
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: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -314.372351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.372351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.372351 (E_RNA)
where:
Base-Base interactions energy: -197.876
where: short stacking energy: -103.779
Base-Backbone interact. energy: -0.361
local terms energy: -116.135464
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -25.544
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -26.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -273.211415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.211415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.211415 (E_RNA)
where:
Base-Base interactions energy: -171.033
where: short stacking energy: -99.183
Base-Backbone interact. energy: -0.165
local terms energy: -102.013297
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -24.009
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -15.673
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: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -177.000203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.000203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.000203 (E_RNA)
where:
Base-Base interactions energy: -93.489
where: short stacking energy: -60.018
Base-Backbone interact. energy: 0.686
local terms energy: -84.196783
where:
bonds (distance) C4'-P energy: -27.076
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: 0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -139.298368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.298368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.298368 (E_RNA)
where:
Base-Base interactions energy: -50.206
where: short stacking energy: -44.173
Base-Backbone interact. energy: 0.815
local terms energy: -89.907621
where:
bonds (distance) C4'-P energy: -22.187
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -26.290
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -6.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -153.655574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.655574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.655574 (E_RNA)
where:
Base-Base interactions energy: -64.258
where: short stacking energy: -59.040
Base-Backbone interact. energy: -0.204
local terms energy: -89.193620
where:
bonds (distance) C4'-P energy: -19.833
bonds (distance) P-C4' energy: -23.143
flat angles C4'-P-C4' energy: -25.576
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -119.936261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.936261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.936261 (E_RNA)
where:
Base-Base interactions energy: -44.309
where: short stacking energy: -43.546
Base-Backbone interact. energy: 0.810
local terms energy: -76.437494
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -20.131
flat angles P-C4'-P energy: -18.828
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -423.100774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.100774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.100774 (E_RNA)
where:
Base-Base interactions energy: -286.325
where: short stacking energy: -146.119
Base-Backbone interact. energy: -0.419
local terms energy: -136.356795
where:
bonds (distance) C4'-P energy: -23.546
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -27.350
flat angles P-C4'-P energy: -18.153
tors. eta vs tors. theta energy: -41.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -400.456008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.456008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.456008 (E_RNA)
where:
Base-Base interactions energy: -257.492
where: short stacking energy: -137.965
Base-Backbone interact. energy: -1.035
local terms energy: -141.929437
where:
bonds (distance) C4'-P energy: -23.288
bonds (distance) P-C4' energy: -26.985
flat angles C4'-P-C4' energy: -28.395
flat angles P-C4'-P energy: -19.682
tors. eta vs tors. theta energy: -43.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -355.318378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.318378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.318378 (E_RNA)
where:
Base-Base interactions energy: -226.438
where: short stacking energy: -127.984
Base-Backbone interact. energy: -1.296
local terms energy: -127.583574
where:
bonds (distance) C4'-P energy: -25.109
bonds (distance) P-C4' energy: -24.258
flat angles C4'-P-C4' energy: -27.817
flat angles P-C4'-P energy: -15.694
tors. eta vs tors. theta energy: -34.706
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: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -337.578132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.578132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.578132 (E_RNA)
where:
Base-Base interactions energy: -209.679
where: short stacking energy: -100.976
Base-Backbone interact. energy: -0.081
local terms energy: -127.818140
where:
bonds (distance) C4'-P energy: -31.170
bonds (distance) P-C4' energy: -27.085
flat angles C4'-P-C4' energy: -24.604
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -25.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -309.988372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.988372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.988372 (E_RNA)
where:
Base-Base interactions energy: -191.411
where: short stacking energy: -102.571
Base-Backbone interact. energy: -0.026
local terms energy: -118.551167
where:
bonds (distance) C4'-P energy: -23.767
bonds (distance) P-C4' energy: -27.983
flat angles C4'-P-C4' energy: -25.480
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -28.087
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: 6, replica: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -285.518041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.518041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.518041 (E_RNA)
where:
Base-Base interactions energy: -165.261
where: short stacking energy: -100.376
Base-Backbone interact. energy: -0.902
local terms energy: -119.355260
where:
bonds (distance) C4'-P energy: -23.316
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: -27.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -141.338940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.338940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.338940 (E_RNA)
where:
Base-Base interactions energy: -52.009
where: short stacking energy: -46.010
Base-Backbone interact. energy: -0.212
local terms energy: -89.118346
where:
bonds (distance) C4'-P energy: -25.817
bonds (distance) P-C4' energy: -24.608
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -156.651387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.651387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.651387 (E_RNA)
where:
Base-Base interactions energy: -66.200
where: short stacking energy: -61.548
Base-Backbone interact. energy: -0.322
local terms energy: -90.128956
where:
bonds (distance) C4'-P energy: -24.216
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -10.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -138.709990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.709990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.709990 (E_RNA)
where:
Base-Base interactions energy: -46.199
where: short stacking energy: -46.199
Base-Backbone interact. energy: -0.350
local terms energy: -92.160571
where:
bonds (distance) C4'-P energy: -28.437
bonds (distance) P-C4' energy: -26.318
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -10.358
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: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -127.526321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.526321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.526321 (E_RNA)
where:
Base-Base interactions energy: -51.697
where: short stacking energy: -45.784
Base-Backbone interact. energy: -0.307
local terms energy: -75.522211
where:
bonds (distance) C4'-P energy: -25.828
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -2.867
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -413.765182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.765182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.765182 (E_RNA)
where:
Base-Base interactions energy: -271.677
where: short stacking energy: -142.133
Base-Backbone interact. energy: -0.004
local terms energy: -142.084724
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -30.985
flat angles C4'-P-C4' energy: -30.170
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -43.951
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: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -407.540694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.540694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.540694 (E_RNA)
where:
Base-Base interactions energy: -270.430
where: short stacking energy: -136.388
Base-Backbone interact. energy: -0.737
local terms energy: -136.374258
where:
bonds (distance) C4'-P energy: -28.617
bonds (distance) P-C4' energy: -21.689
flat angles C4'-P-C4' energy: -25.482
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -40.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -353.786743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.786743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.786743 (E_RNA)
where:
Base-Base interactions energy: -216.554
where: short stacking energy: -122.231
Base-Backbone interact. energy: -0.397
local terms energy: -136.836128
where:
bonds (distance) C4'-P energy: -27.195
bonds (distance) P-C4' energy: -27.388
flat angles C4'-P-C4' energy: -26.363
flat angles P-C4'-P energy: -20.652
tors. eta vs tors. theta energy: -35.238
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: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -312.041644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.041644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.041644 (E_RNA)
where:
Base-Base interactions energy: -183.218
where: short stacking energy: -104.829
Base-Backbone interact. energy: -0.731
local terms energy: -128.093184
where:
bonds (distance) C4'-P energy: -23.717
bonds (distance) P-C4' energy: -29.778
flat angles C4'-P-C4' energy: -26.778
flat angles P-C4'-P energy: -21.065
tors. eta vs tors. theta energy: -26.756
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: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -310.009417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.009417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.009417 (E_RNA)
where:
Base-Base interactions energy: -189.369
where: short stacking energy: -101.303
Base-Backbone interact. energy: -1.455
local terms energy: -119.185159
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -29.512
flat angles P-C4'-P energy: -16.732
tors. eta vs tors. theta energy: -31.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -256.712039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.712039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.712039 (E_RNA)
where:
Base-Base interactions energy: -153.564
where: short stacking energy: -94.116
Base-Backbone interact. energy: -0.139
local terms energy: -103.008995
where:
bonds (distance) C4'-P energy: -22.849
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -24.391
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: 8
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -193.970834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.970834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.970834 (E_RNA)
where:
Base-Base interactions energy: -84.880
where: short stacking energy: -84.880
Base-Backbone interact. energy: -0.085
local terms energy: -109.005820
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -24.718
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -139.909945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.909945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.909945 (E_RNA)
where:
Base-Base interactions energy: -58.012
where: short stacking energy: -41.426
Base-Backbone interact. energy: -0.980
local terms energy: -80.917950
where:
bonds (distance) C4'-P energy: -25.093
bonds (distance) P-C4' energy: -21.773
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -146.687328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.687328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.687328 (E_RNA)
where:
Base-Base interactions energy: -50.758
where: short stacking energy: -49.328
Base-Backbone interact. energy: -0.078
local terms energy: -95.851241
where:
bonds (distance) C4'-P energy: -22.213
bonds (distance) P-C4' energy: -29.306
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -15.271
tors. eta vs tors. theta energy: -10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -121.047457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.047457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.047457 (E_RNA)
where:
Base-Base interactions energy: -47.082
where: short stacking energy: -42.936
Base-Backbone interact. energy: -0.156
local terms energy: -73.810229
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -26.089
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -3.013
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -404.773352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.773352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.773352 (E_RNA)
where:
Base-Base interactions energy: -270.359
where: short stacking energy: -138.881
Base-Backbone interact. energy: -0.078
local terms energy: -134.335916
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -25.572
flat angles C4'-P-C4' energy: -29.128
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -39.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -402.368069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.368069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.368069 (E_RNA)
where:
Base-Base interactions energy: -268.829
where: short stacking energy: -124.654
Base-Backbone interact. energy: -0.579
local terms energy: -132.959681
where:
bonds (distance) C4'-P energy: -26.974
bonds (distance) P-C4' energy: -24.122
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -21.380
tors. eta vs tors. theta energy: -38.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -342.101102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.101102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.101102 (E_RNA)
where:
Base-Base interactions energy: -212.825
where: short stacking energy: -114.071
Base-Backbone interact. energy: -0.983
local terms energy: -128.293504
where:
bonds (distance) C4'-P energy: -27.503
bonds (distance) P-C4' energy: -26.894
flat angles C4'-P-C4' energy: -29.551
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -30.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -331.729126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.729126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.729126 (E_RNA)
where:
Base-Base interactions energy: -213.007
where: short stacking energy: -110.329
Base-Backbone interact. energy: -2.173
local terms energy: -116.549442
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -25.856
flat angles C4'-P-C4' energy: -27.617
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -27.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -315.517628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.517628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.517628 (E_RNA)
where:
Base-Base interactions energy: -194.196
where: short stacking energy: -100.420
Base-Backbone interact. energy: -0.385
local terms energy: -120.936257
where:
bonds (distance) C4'-P energy: -25.507
bonds (distance) P-C4' energy: -26.864
flat angles C4'-P-C4' energy: -24.983
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -26.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -278.432907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.432907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.432907 (E_RNA)
where:
Base-Base interactions energy: -163.200
where: short stacking energy: -92.625
Base-Backbone interact. energy: 0.168
local terms energy: -115.400632
where:
bonds (distance) C4'-P energy: -29.403
bonds (distance) P-C4' energy: -24.615
flat angles C4'-P-C4' energy: -27.733
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -21.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -164.370858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.370858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.370858 (E_RNA)
where:
Base-Base interactions energy: -73.418
where: short stacking energy: -67.037
Base-Backbone interact. energy: -0.018
local terms energy: -90.935186
where:
bonds (distance) C4'-P energy: -25.106
bonds (distance) P-C4' energy: -26.187
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -12.222
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: 3
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -141.121682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.121682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.121682 (E_RNA)
where:
Base-Base interactions energy: -52.699
where: short stacking energy: -52.672
Base-Backbone interact. energy: 2.059
local terms energy: -90.481101
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -29.059
flat angles C4'-P-C4' energy: -23.890
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -135.979175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.979175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.979175 (E_RNA)
where:
Base-Base interactions energy: -52.057
where: short stacking energy: -52.057
Base-Backbone interact. energy: -1.221
local terms energy: -82.700994
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -22.047
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: -9.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -135.053003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.053003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.053003 (E_RNA)
where:
Base-Base interactions energy: -53.820
where: short stacking energy: -53.811
Base-Backbone interact. energy: 1.362
local terms energy: -82.594928
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -26.179
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -5.714
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -412.227042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.227042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.227042 (E_RNA)
where:
Base-Base interactions energy: -264.093
where: short stacking energy: -134.984
Base-Backbone interact. energy: -0.232
local terms energy: -147.902129
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -27.620
flat angles C4'-P-C4' energy: -33.752
flat angles P-C4'-P energy: -21.578
tors. eta vs tors. theta energy: -43.129
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: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -416.327176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.327176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.327176 (E_RNA)
where:
Base-Base interactions energy: -281.630
where: short stacking energy: -130.803
Base-Backbone interact. energy: -0.425
local terms energy: -134.272610
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -39.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -349.171645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.171645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.171645 (E_RNA)
where:
Base-Base interactions energy: -227.322
where: short stacking energy: -123.316
Base-Backbone interact. energy: -0.595
local terms energy: -121.254546
where:
bonds (distance) C4'-P energy: -23.350
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -27.056
flat angles P-C4'-P energy: -19.214
tors. eta vs tors. theta energy: -29.603
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: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -322.230306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.230306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.230306 (E_RNA)
where:
Base-Base interactions energy: -209.731
where: short stacking energy: -102.717
Base-Backbone interact. energy: -1.520
local terms energy: -110.979782
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -22.225
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -26.817
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: 110
Temperature: 1.100000
Total energy: -314.187180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.187180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.187180 (E_RNA)
where:
Base-Base interactions energy: -198.187
where: short stacking energy: -97.596
Base-Backbone interact. energy: -0.530
local terms energy: -115.470295
where:
bonds (distance) C4'-P energy: -27.485
bonds (distance) P-C4' energy: -21.333
flat angles C4'-P-C4' energy: -25.022
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -27.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -259.243444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.243444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.243444 (E_RNA)
where:
Base-Base interactions energy: -146.986
where: short stacking energy: -88.595
Base-Backbone interact. energy: -0.628
local terms energy: -111.629695
where:
bonds (distance) C4'-P energy: -25.879
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -23.780
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -23.953
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: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -143.882615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.882615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.882615 (E_RNA)
where:
Base-Base interactions energy: -56.419
where: short stacking energy: -54.049
Base-Backbone interact. energy: 0.063
local terms energy: -87.526957
where:
bonds (distance) C4'-P energy: -23.230
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -25.231
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -7.377
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: 8, replica: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -139.278323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.278323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.278323 (E_RNA)
where:
Base-Base interactions energy: -57.903
where: short stacking energy: -51.665
Base-Backbone interact. energy: 0.650
local terms energy: -82.025144
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -20.962
flat angles P-C4'-P energy: -17.182
tors. eta vs tors. theta energy: -5.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -122.346506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.346506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.346506 (E_RNA)
where:
Base-Base interactions energy: -52.216
where: short stacking energy: -42.410
Base-Backbone interact. energy: 2.758
local terms energy: -72.888620
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: 1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -142.766885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.766885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.766885 (E_RNA)
where:
Base-Base interactions energy: -50.536
where: short stacking energy: -44.406
Base-Backbone interact. energy: 2.030
local terms energy: -94.261589
where:
bonds (distance) C4'-P energy: -25.913
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -24.380
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -5.224
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -417.298264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.298264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.298264 (E_RNA)
where:
Base-Base interactions energy: -278.958
where: short stacking energy: -134.172
Base-Backbone interact. energy: -0.853
local terms energy: -137.487538
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -30.140
flat angles C4'-P-C4' energy: -28.512
flat angles P-C4'-P energy: -19.612
tors. eta vs tors. theta energy: -40.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -389.110638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.110638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.110638 (E_RNA)
where:
Base-Base interactions energy: -258.003
where: short stacking energy: -124.792
Base-Backbone interact. energy: -0.038
local terms energy: -131.069719
where:
bonds (distance) C4'-P energy: -21.351
bonds (distance) P-C4' energy: -27.155
flat angles C4'-P-C4' energy: -29.594
flat angles P-C4'-P energy: -17.416
tors. eta vs tors. theta energy: -35.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -338.831847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.831847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.831847 (E_RNA)
where:
Base-Base interactions energy: -215.570
where: short stacking energy: -112.834
Base-Backbone interact. energy: -0.873
local terms energy: -122.389529
where:
bonds (distance) C4'-P energy: -24.888
bonds (distance) P-C4' energy: -25.214
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -18.120
tors. eta vs tors. theta energy: -32.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -332.629614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.629614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.629614 (E_RNA)
where:
Base-Base interactions energy: -213.067
where: short stacking energy: -111.171
Base-Backbone interact. energy: -1.019
local terms energy: -118.543850
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -26.405
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -31.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -330.909122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.909122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.909122 (E_RNA)
where:
Base-Base interactions energy: -215.976
where: short stacking energy: -96.198
Base-Backbone interact. energy: 0.873
local terms energy: -115.806823
where:
bonds (distance) C4'-P energy: -22.419
bonds (distance) P-C4' energy: -28.360
flat angles C4'-P-C4' energy: -24.084
flat angles P-C4'-P energy: -19.618
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -252.938000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.938000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.938000 (E_RNA)
where:
Base-Base interactions energy: -161.670
where: short stacking energy: -82.040
Base-Backbone interact. energy: -0.442
local terms energy: -90.825531
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -23.816
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -15.191
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: 7, replica: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -168.663623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.663623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.663623 (E_RNA)
where:
Base-Base interactions energy: -74.199
where: short stacking energy: -60.848
Base-Backbone interact. energy: -1.123
local terms energy: -93.341943
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -25.597
flat angles C4'-P-C4' energy: -26.617
flat angles P-C4'-P energy: -8.050
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: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -143.106187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.106187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.106187 (E_RNA)
where:
Base-Base interactions energy: -57.127
where: short stacking energy: -49.729
Base-Backbone interact. energy: -0.278
local terms energy: -85.701040
where:
bonds (distance) C4'-P energy: -19.521
bonds (distance) P-C4' energy: -25.177
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -8.188
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: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -143.588532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.588532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.588532 (E_RNA)
where:
Base-Base interactions energy: -64.531
where: short stacking energy: -59.187
Base-Backbone interact. energy: 0.585
local terms energy: -79.642299
where:
bonds (distance) C4'-P energy: -23.984
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -22.431
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -132.510464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.510464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.510464 (E_RNA)
where:
Base-Base interactions energy: -41.840
where: short stacking energy: -41.840
Base-Backbone interact. energy: 1.121
local terms energy: -91.791129
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -30.775
flat angles C4'-P-C4' energy: -21.555
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -6.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -400.989719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.989719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.989719 (E_RNA)
where:
Base-Base interactions energy: -266.518
where: short stacking energy: -121.008
Base-Backbone interact. energy: -1.754
local terms energy: -132.718405
where:
bonds (distance) C4'-P energy: -24.256
bonds (distance) P-C4' energy: -23.884
flat angles C4'-P-C4' energy: -30.107
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -37.244
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: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -415.030401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.030401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.030401 (E_RNA)
where:
Base-Base interactions energy: -286.902
where: short stacking energy: -134.800
Base-Backbone interact. energy: -0.579
local terms energy: -127.549767
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -29.839
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -39.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -348.548443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.548443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.548443 (E_RNA)
where:
Base-Base interactions energy: -225.510
where: short stacking energy: -124.408
Base-Backbone interact. energy: 1.717
local terms energy: -124.755123
where:
bonds (distance) C4'-P energy: -28.149
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -28.676
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -31.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -323.480762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.480762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.480762 (E_RNA)
where:
Base-Base interactions energy: -218.513
where: short stacking energy: -105.024
Base-Backbone interact. energy: -0.920
local terms energy: -104.047607
where:
bonds (distance) C4'-P energy: -25.694
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -25.661
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -24.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -311.825961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.825961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.825961 (E_RNA)
where:
Base-Base interactions energy: -191.724
where: short stacking energy: -102.610
Base-Backbone interact. energy: -0.080
local terms energy: -120.021795
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -26.152
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -24.103
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: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -256.942923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.942923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.942923 (E_RNA)
where:
Base-Base interactions energy: -143.073
where: short stacking energy: -87.937
Base-Backbone interact. energy: -0.754
local terms energy: -113.115768
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -26.807
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -28.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -155.773583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.773583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.773583 (E_RNA)
where:
Base-Base interactions energy: -73.349
where: short stacking energy: -63.040
Base-Backbone interact. energy: -2.751
local terms energy: -79.673540
where:
bonds (distance) C4'-P energy: -24.516
bonds (distance) P-C4' energy: -23.422
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -144.849832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.849832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.849832 (E_RNA)
where:
Base-Base interactions energy: -59.092
where: short stacking energy: -56.708
Base-Backbone interact. energy: -0.894
local terms energy: -84.863713
where:
bonds (distance) C4'-P energy: -25.715
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -9.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -127.281949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.281949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.281949 (E_RNA)
where:
Base-Base interactions energy: -52.872
where: short stacking energy: -51.699
Base-Backbone interact. energy: -0.232
local terms energy: -74.177914
where:
bonds (distance) C4'-P energy: -21.502
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -15.954
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: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -133.193958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.193958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.193958 (E_RNA)
where:
Base-Base interactions energy: -42.004
where: short stacking energy: -39.543
Base-Backbone interact. energy: 1.760
local terms energy: -92.949411
where:
bonds (distance) C4'-P energy: -24.707
bonds (distance) P-C4' energy: -28.988
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: 1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -402.957187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.957187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.957187 (E_RNA)
where:
Base-Base interactions energy: -268.289
where: short stacking energy: -121.779
Base-Backbone interact. energy: -0.190
local terms energy: -134.478630
where:
bonds (distance) C4'-P energy: -29.423
bonds (distance) P-C4' energy: -25.940
flat angles C4'-P-C4' energy: -28.308
flat angles P-C4'-P energy: -22.629
tors. eta vs tors. theta energy: -28.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -354.443651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.443651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.443651 (E_RNA)
where:
Base-Base interactions energy: -220.721
where: short stacking energy: -124.713
Base-Backbone interact. energy: -1.678
local terms energy: -132.044435
where:
bonds (distance) C4'-P energy: -27.134
bonds (distance) P-C4' energy: -24.298
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -21.010
tors. eta vs tors. theta energy: -34.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -405.092858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.092858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.092858 (E_RNA)
where:
Base-Base interactions energy: -274.233
where: short stacking energy: -127.533
Base-Backbone interact. energy: -0.032
local terms energy: -130.827757
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -24.755
flat angles C4'-P-C4' energy: -27.726
flat angles P-C4'-P energy: -16.709
tors. eta vs tors. theta energy: -40.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -321.182922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.182922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.182922 (E_RNA)
where:
Base-Base interactions energy: -197.889
where: short stacking energy: -96.794
Base-Backbone interact. energy: -0.590
local terms energy: -122.704550
where:
bonds (distance) C4'-P energy: -24.687
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -28.317
flat angles P-C4'-P energy: -17.548
tors. eta vs tors. theta energy: -27.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -298.710192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.710192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.710192 (E_RNA)
where:
Base-Base interactions energy: -190.867
where: short stacking energy: -95.072
Base-Backbone interact. energy: -0.969
local terms energy: -106.874257
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -25.111
flat angles P-C4'-P energy: -18.225
tors. eta vs tors. theta energy: -20.533
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: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -283.512699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.512699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.512699 (E_RNA)
where:
Base-Base interactions energy: -178.448
where: short stacking energy: -103.367
Base-Backbone interact. energy: -0.516
local terms energy: -104.548594
where:
bonds (distance) C4'-P energy: -24.560
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -149.877222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.877222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.877222 (E_RNA)
where:
Base-Base interactions energy: -61.937
where: short stacking energy: -54.177
Base-Backbone interact. energy: -0.138
local terms energy: -87.802070
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -24.669
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -7.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -161.289378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.289378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.289378 (E_RNA)
where:
Base-Base interactions energy: -63.141
where: short stacking energy: -63.141
Base-Backbone interact. energy: -0.103
local terms energy: -98.045265
where:
bonds (distance) C4'-P energy: -24.388
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -18.534
tors. eta vs tors. theta energy: -11.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -124.801049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.801049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.801049 (E_RNA)
where:
Base-Base interactions energy: -46.304
where: short stacking energy: -14.172
Base-Backbone interact. energy: 0.046
local terms energy: -78.542953
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -30.352
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: 13.319
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: 113
Temperature: 1.350000
Total energy: -124.421975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.421975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.421975 (E_RNA)
where:
Base-Base interactions energy: -38.998
where: short stacking energy: -29.293
Base-Backbone interact. energy: -0.236
local terms energy: -85.187509
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -21.854
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -3.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -407.992088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.992088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.992088 (E_RNA)
where:
Base-Base interactions energy: -270.606
where: short stacking energy: -133.823
Base-Backbone interact. energy: -0.097
local terms energy: -137.289519
where:
bonds (distance) C4'-P energy: -28.409
bonds (distance) P-C4' energy: -28.346
flat angles C4'-P-C4' energy: -29.041
flat angles P-C4'-P energy: -18.039
tors. eta vs tors. theta energy: -33.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -361.945100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.945100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.945100 (E_RNA)
where:
Base-Base interactions energy: -233.257
where: short stacking energy: -120.139
Base-Backbone interact. energy: 0.329
local terms energy: -129.017053
where:
bonds (distance) C4'-P energy: -25.514
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -30.988
flat angles P-C4'-P energy: -24.563
tors. eta vs tors. theta energy: -28.293
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: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -399.482462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.482462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.482462 (E_RNA)
where:
Base-Base interactions energy: -267.404
where: short stacking energy: -131.046
Base-Backbone interact. energy: -1.310
local terms energy: -130.768584
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -30.344
flat angles C4'-P-C4' energy: -26.286
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -39.857
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: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -307.192661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.192661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.192661 (E_RNA)
where:
Base-Base interactions energy: -195.264
where: short stacking energy: -97.171
Base-Backbone interact. energy: -1.585
local terms energy: -110.344065
where:
bonds (distance) C4'-P energy: -27.936
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -23.739
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: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -299.214624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.214624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.214624 (E_RNA)
where:
Base-Base interactions energy: -196.010
where: short stacking energy: -98.977
Base-Backbone interact. energy: -0.556
local terms energy: -102.648739
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -23.180
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -24.457
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: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -257.195229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.195229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.195229 (E_RNA)
where:
Base-Base interactions energy: -156.020
where: short stacking energy: -84.967
Base-Backbone interact. energy: 0.516
local terms energy: -101.691090
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -25.077
flat angles P-C4'-P energy: -18.535
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -155.693704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.693704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.693704 (E_RNA)
where:
Base-Base interactions energy: -73.726
where: short stacking energy: -60.418
Base-Backbone interact. energy: 0.494
local terms energy: -82.462604
where:
bonds (distance) C4'-P energy: -20.672
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -16.865
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: 8, replica: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -162.862476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.862476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.862476 (E_RNA)
where:
Base-Base interactions energy: -82.807
where: short stacking energy: -66.520
Base-Backbone interact. energy: 0.135
local terms energy: -80.190098
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -5.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -147.374882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.374882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.374882 (E_RNA)
where:
Base-Base interactions energy: -62.679
where: short stacking energy: -55.630
Base-Backbone interact. energy: -0.235
local terms energy: -84.460686
where:
bonds (distance) C4'-P energy: -22.551
bonds (distance) P-C4' energy: -28.520
flat angles C4'-P-C4' energy: -3.443
flat angles P-C4'-P energy: -21.183
tors. eta vs tors. theta energy: -8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -145.507077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.507077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.507077 (E_RNA)
where:
Base-Base interactions energy: -85.190
where: short stacking energy: -57.211
Base-Backbone interact. energy: -0.205
local terms energy: -60.111276
where:
bonds (distance) C4'-P energy: -9.036
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -6.503
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -400.112943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.112943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.112943 (E_RNA)
where:
Base-Base interactions energy: -271.831
where: short stacking energy: -129.928
Base-Backbone interact. energy: -0.379
local terms energy: -127.903403
where:
bonds (distance) C4'-P energy: -21.607
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -29.432
flat angles P-C4'-P energy: -19.236
tors. eta vs tors. theta energy: -35.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -400.552785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.552785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.552785 (E_RNA)
where:
Base-Base interactions energy: -269.414
where: short stacking energy: -147.023
Base-Backbone interact. energy: -0.001
local terms energy: -131.138158
where:
bonds (distance) C4'-P energy: -25.406
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -28.813
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -42.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -345.809742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.809742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.809742 (E_RNA)
where:
Base-Base interactions energy: -223.431
where: short stacking energy: -116.390
Base-Backbone interact. energy: -0.846
local terms energy: -121.533079
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -29.492
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -33.503
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: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -323.244894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.244894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.244894 (E_RNA)
where:
Base-Base interactions energy: -205.362
where: short stacking energy: -103.769
Base-Backbone interact. energy: -0.359
local terms energy: -117.523412
where:
bonds (distance) C4'-P energy: -23.723
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -28.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -310.210742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.210742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.210742 (E_RNA)
where:
Base-Base interactions energy: -185.355
where: short stacking energy: -94.822
Base-Backbone interact. energy: -0.669
local terms energy: -124.186663
where:
bonds (distance) C4'-P energy: -23.560
bonds (distance) P-C4' energy: -27.423
flat angles C4'-P-C4' energy: -31.044
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -25.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -254.856142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.856142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.856142 (E_RNA)
where:
Base-Base interactions energy: -146.361
where: short stacking energy: -83.559
Base-Backbone interact. energy: -0.798
local terms energy: -107.697186
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -25.179
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: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -189.686097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.686097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.686097 (E_RNA)
where:
Base-Base interactions energy: -96.907
where: short stacking energy: -75.444
Base-Backbone interact. energy: -0.312
local terms energy: -92.467127
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -23.124
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -13.481
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: 8, replica: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -142.146888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.146888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.146888 (E_RNA)
where:
Base-Base interactions energy: -61.173
where: short stacking energy: -43.096
Base-Backbone interact. energy: -0.234
local terms energy: -80.739601
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -24.842
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -132.052230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.052230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.052230 (E_RNA)
where:
Base-Base interactions energy: -53.332
where: short stacking energy: -28.501
Base-Backbone interact. energy: 0.655
local terms energy: -79.375594
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -24.448
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -17.428
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: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -120.375846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.375846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.375846 (E_RNA)
where:
Base-Base interactions energy: -48.558
where: short stacking energy: -45.423
Base-Backbone interact. energy: -0.624
local terms energy: -71.194245
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -25.035
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -414.400445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.400445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.400445 (E_RNA)
where:
Base-Base interactions energy: -271.289
where: short stacking energy: -143.600
Base-Backbone interact. energy: -0.608
local terms energy: -142.502727
where:
bonds (distance) C4'-P energy: -28.265
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -27.952
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -40.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -387.685667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.685667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.685667 (E_RNA)
where:
Base-Base interactions energy: -256.311
where: short stacking energy: -119.582
Base-Backbone interact. energy: -1.011
local terms energy: -130.363315
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -23.999
flat angles C4'-P-C4' energy: -27.726
flat angles P-C4'-P energy: -19.680
tors. eta vs tors. theta energy: -38.756
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: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -341.420541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.420541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.420541 (E_RNA)
where:
Base-Base interactions energy: -209.068
where: short stacking energy: -110.084
Base-Backbone interact. energy: -0.244
local terms energy: -132.108590
where:
bonds (distance) C4'-P energy: -28.401
bonds (distance) P-C4' energy: -25.736
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -23.778
tors. eta vs tors. theta energy: -29.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -332.804242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.804242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.804242 (E_RNA)
where:
Base-Base interactions energy: -213.279
where: short stacking energy: -120.576
Base-Backbone interact. energy: 1.303
local terms energy: -120.827924
where:
bonds (distance) C4'-P energy: -24.625
bonds (distance) P-C4' energy: -26.897
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -29.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -283.191288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.191288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.191288 (E_RNA)
where:
Base-Base interactions energy: -162.109
where: short stacking energy: -98.707
Base-Backbone interact. energy: 0.784
local terms energy: -121.865928
where:
bonds (distance) C4'-P energy: -26.278
bonds (distance) P-C4' energy: -30.016
flat angles C4'-P-C4' energy: -25.352
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -21.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -249.079490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.079490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.079490 (E_RNA)
where:
Base-Base interactions energy: -147.723
where: short stacking energy: -99.532
Base-Backbone interact. energy: -0.712
local terms energy: -100.643960
where:
bonds (distance) C4'-P energy: -21.413
bonds (distance) P-C4' energy: -21.780
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -24.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -162.785631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.785631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.785631 (E_RNA)
where:
Base-Base interactions energy: -73.297
where: short stacking energy: -71.717
Base-Backbone interact. energy: -0.195
local terms energy: -89.293263
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -26.811
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -8.844
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: 116
Temperature: 1.250000
Total energy: -141.587727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.587727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.587727 (E_RNA)
where:
Base-Base interactions energy: -55.411
where: short stacking energy: -53.881
Base-Backbone interact. energy: -0.997
local terms energy: -85.180430
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -22.199
flat angles C4'-P-C4' energy: -21.134
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -124.804374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.804374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.804374 (E_RNA)
where:
Base-Base interactions energy: -45.206
where: short stacking energy: -43.295
Base-Backbone interact. energy: -0.062
local terms energy: -79.536044
where:
bonds (distance) C4'-P energy: -23.933
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -142.939422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.939422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.939422 (E_RNA)
where:
Base-Base interactions energy: -72.993
where: short stacking energy: -44.948
Base-Backbone interact. energy: -0.622
local terms energy: -69.324321
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -26.276
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -13.025
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -414.864675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.864675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.864675 (E_RNA)
where:
Base-Base interactions energy: -266.839
where: short stacking energy: -134.483
Base-Backbone interact. energy: -0.865
local terms energy: -147.160385
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -26.460
flat angles C4'-P-C4' energy: -31.601
flat angles P-C4'-P energy: -23.482
tors. eta vs tors. theta energy: -38.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -365.684896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.684896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.684896 (E_RNA)
where:
Base-Base interactions energy: -225.180
where: short stacking energy: -115.807
Base-Backbone interact. energy: -0.416
local terms energy: -140.089302
where:
bonds (distance) C4'-P energy: -25.816
bonds (distance) P-C4' energy: -29.014
flat angles C4'-P-C4' energy: -24.714
flat angles P-C4'-P energy: -25.044
tors. eta vs tors. theta energy: -35.501
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: 4
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -400.773148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.773148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.773148 (E_RNA)
where:
Base-Base interactions energy: -270.211
where: short stacking energy: -126.068
Base-Backbone interact. energy: -0.044
local terms energy: -130.518172
where:
bonds (distance) C4'-P energy: -22.365
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -27.871
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -36.770
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: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -301.190025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.190025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.190025 (E_RNA)
where:
Base-Base interactions energy: -191.089
where: short stacking energy: -105.773
Base-Backbone interact. energy: -0.170
local terms energy: -109.931314
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -26.798
flat angles C4'-P-C4' energy: -24.658
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -29.109
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: 117
Temperature: 1.100000
Total energy: -340.114094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.114094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.114094 (E_RNA)
where:
Base-Base interactions energy: -214.700
where: short stacking energy: -116.059
Base-Backbone interact. energy: -1.101
local terms energy: -124.312813
where:
bonds (distance) C4'-P energy: -20.283
bonds (distance) P-C4' energy: -26.204
flat angles C4'-P-C4' energy: -29.301
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -35.325
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: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -236.330832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.330832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.330832 (E_RNA)
where:
Base-Base interactions energy: -136.139
where: short stacking energy: -78.703
Base-Backbone interact. energy: -0.303
local terms energy: -99.888660
where:
bonds (distance) C4'-P energy: -24.422
bonds (distance) P-C4' energy: -26.317
flat angles C4'-P-C4' energy: -24.520
flat angles P-C4'-P energy: -15.571
tors. eta vs tors. theta energy: -9.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -156.447118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.447118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.447118 (E_RNA)
where:
Base-Base interactions energy: -52.735
where: short stacking energy: -49.199
Base-Backbone interact. energy: -0.418
local terms energy: -103.294573
where:
bonds (distance) C4'-P energy: -26.264
bonds (distance) P-C4' energy: -27.315
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -22.141
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: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -143.787975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.787975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.787975 (E_RNA)
where:
Base-Base interactions energy: -51.949
where: short stacking energy: -50.626
Base-Backbone interact. energy: -0.378
local terms energy: -91.461213
where:
bonds (distance) C4'-P energy: -26.725
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -8.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -148.209451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.209451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.209451 (E_RNA)
where:
Base-Base interactions energy: -70.175
where: short stacking energy: -63.690
Base-Backbone interact. energy: -0.307
local terms energy: -77.728194
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -4.665
tors. eta vs tors. theta energy: -8.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -125.797492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.797492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.797492 (E_RNA)
where:
Base-Base interactions energy: -46.709
where: short stacking energy: -41.691
Base-Backbone interact. energy: 0.248
local terms energy: -79.337036
where:
bonds (distance) C4'-P energy: -26.095
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -21.006
flat angles P-C4'-P energy: -10.326
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -399.679243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.679243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.679243 (E_RNA)
where:
Base-Base interactions energy: -259.297
where: short stacking energy: -137.449
Base-Backbone interact. energy: -0.879
local terms energy: -139.503101
where:
bonds (distance) C4'-P energy: -25.002
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -26.781
flat angles P-C4'-P energy: -20.199
tors. eta vs tors. theta energy: -39.799
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: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -365.923435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.923435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.923435 (E_RNA)
where:
Base-Base interactions energy: -231.407
where: short stacking energy: -127.159
Base-Backbone interact. energy: -1.433
local terms energy: -133.083112
where:
bonds (distance) C4'-P energy: -21.995
bonds (distance) P-C4' energy: -28.679
flat angles C4'-P-C4' energy: -25.321
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -36.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -386.383213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.383213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.383213 (E_RNA)
where:
Base-Base interactions energy: -252.122
where: short stacking energy: -128.369
Base-Backbone interact. energy: -0.001
local terms energy: -134.260690
where:
bonds (distance) C4'-P energy: -24.620
bonds (distance) P-C4' energy: -25.104
flat angles C4'-P-C4' energy: -25.132
flat angles P-C4'-P energy: -21.412
tors. eta vs tors. theta energy: -37.993
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: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -286.094251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.094251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.094251 (E_RNA)
where:
Base-Base interactions energy: -184.204
where: short stacking energy: -104.837
Base-Backbone interact. energy: -0.168
local terms energy: -101.722111
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -25.377
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: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -305.708766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.708766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.708766 (E_RNA)
where:
Base-Base interactions energy: -199.141
where: short stacking energy: -104.989
Base-Backbone interact. energy: 0.069
local terms energy: -106.636272
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -26.592
flat angles C4'-P-C4' energy: -25.173
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -25.782
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: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -256.421138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.421138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.421138 (E_RNA)
where:
Base-Base interactions energy: -158.751
where: short stacking energy: -95.400
Base-Backbone interact. energy: -0.420
local terms energy: -97.250766
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -30.920
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: -17.467
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: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -166.647632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.647632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.647632 (E_RNA)
where:
Base-Base interactions energy: -79.386
where: short stacking energy: -70.727
Base-Backbone interact. energy: -0.335
local terms energy: -86.926425
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -8.257
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: 118
Temperature: 1.250000
Total energy: -153.909021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.909021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.909021 (E_RNA)
where:
Base-Base interactions energy: -66.889
where: short stacking energy: -55.515
Base-Backbone interact. energy: -0.353
local terms energy: -86.666572
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -22.007
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -137.674521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.674521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.674521 (E_RNA)
where:
Base-Base interactions energy: -54.869
where: short stacking energy: -54.203
Base-Backbone interact. energy: 0.121
local terms energy: -82.927169
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -22.371
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -15.995
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: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -129.107147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.107147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.107147 (E_RNA)
where:
Base-Base interactions energy: -53.136
where: short stacking energy: -48.820
Base-Backbone interact. energy: -0.169
local terms energy: -75.802409
where:
bonds (distance) C4'-P energy: -22.691
bonds (distance) P-C4' energy: -23.231
flat angles C4'-P-C4' energy: -8.626
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -12.844
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -404.504311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.504311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.504311 (E_RNA)
where:
Base-Base interactions energy: -264.480
where: short stacking energy: -129.729
Base-Backbone interact. energy: -0.079
local terms energy: -139.944595
where:
bonds (distance) C4'-P energy: -27.833
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -27.348
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -40.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -405.106933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.106933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.106933 (E_RNA)
where:
Base-Base interactions energy: -264.024
where: short stacking energy: -127.809
Base-Backbone interact. energy: -0.513
local terms energy: -140.570250
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -26.852
flat angles C4'-P-C4' energy: -25.124
flat angles P-C4'-P energy: -19.784
tors. eta vs tors. theta energy: -39.718
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: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -355.995367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.995367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.995367 (E_RNA)
where:
Base-Base interactions energy: -220.281
where: short stacking energy: -122.907
Base-Backbone interact. energy: -0.094
local terms energy: -135.619916
where:
bonds (distance) C4'-P energy: -30.053
bonds (distance) P-C4' energy: -25.727
flat angles C4'-P-C4' energy: -28.634
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -39.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -320.764973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.764973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.764973 (E_RNA)
where:
Base-Base interactions energy: -197.162
where: short stacking energy: -98.660
Base-Backbone interact. energy: -1.367
local terms energy: -122.236508
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -26.688
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -27.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -275.052988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.052988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.052988 (E_RNA)
where:
Base-Base interactions energy: -173.994
where: short stacking energy: -86.266
Base-Backbone interact. energy: -0.953
local terms energy: -100.106015
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -23.982
flat angles C4'-P-C4' energy: -22.887
flat angles P-C4'-P energy: -15.252
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: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -215.202363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.202363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.202363 (E_RNA)
where:
Base-Base interactions energy: -117.152
where: short stacking energy: -62.074
Base-Backbone interact. energy: -0.893
local terms energy: -97.157878
where:
bonds (distance) C4'-P energy: -31.151
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -21.523
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -137.452212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.452212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.452212 (E_RNA)
where:
Base-Base interactions energy: -55.257
where: short stacking energy: -55.257
Base-Backbone interact. energy: -0.906
local terms energy: -81.289228
where:
bonds (distance) C4'-P energy: -20.867
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -9.358
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: 3
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -142.260418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.260418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.260418 (E_RNA)
where:
Base-Base interactions energy: -55.765
where: short stacking energy: -49.808
Base-Backbone interact. energy: 1.559
local terms energy: -88.054811
where:
bonds (distance) C4'-P energy: -27.156
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -3.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -128.911010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.911010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.911010 (E_RNA)
where:
Base-Base interactions energy: -45.524
where: short stacking energy: -40.504
Base-Backbone interact. energy: -1.106
local terms energy: -82.280907
where:
bonds (distance) C4'-P energy: -23.797
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -125.362261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.362261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.362261 (E_RNA)
where:
Base-Base interactions energy: -48.157
where: short stacking energy: -37.093
Base-Backbone interact. energy: -0.772
local terms energy: -76.433060
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -26.352
flat angles C4'-P-C4' energy: -23.151
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: 2.947
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -418.291545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.291545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.291545 (E_RNA)
where:
Base-Base interactions energy: -269.001
where: short stacking energy: -139.202
Base-Backbone interact. energy: -1.811
local terms energy: -147.479517
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -30.010
flat angles C4'-P-C4' energy: -30.660
flat angles P-C4'-P energy: -20.749
tors. eta vs tors. theta energy: -44.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -410.905514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.905514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.905514 (E_RNA)
where:
Base-Base interactions energy: -267.616
where: short stacking energy: -136.245
Base-Backbone interact. energy: -0.506
local terms energy: -142.783442
where:
bonds (distance) C4'-P energy: -28.054
bonds (distance) P-C4' energy: -26.688
flat angles C4'-P-C4' energy: -28.320
flat angles P-C4'-P energy: -22.735
tors. eta vs tors. theta energy: -36.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -351.917404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.917404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.917404 (E_RNA)
where:
Base-Base interactions energy: -215.815
where: short stacking energy: -118.335
Base-Backbone interact. energy: -0.259
local terms energy: -135.843363
where:
bonds (distance) C4'-P energy: -29.046
bonds (distance) P-C4' energy: -26.011
flat angles C4'-P-C4' energy: -27.583
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -36.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -326.158613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.158613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.158613 (E_RNA)
where:
Base-Base interactions energy: -201.875
where: short stacking energy: -99.478
Base-Backbone interact. energy: -1.463
local terms energy: -122.820554
where:
bonds (distance) C4'-P energy: -27.943
bonds (distance) P-C4' energy: -24.721
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -17.371
tors. eta vs tors. theta energy: -26.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -279.919567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.919567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.919567 (E_RNA)
where:
Base-Base interactions energy: -166.302
where: short stacking energy: -101.732
Base-Backbone interact. energy: -0.320
local terms energy: -113.297051
where:
bonds (distance) C4'-P energy: -28.065
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -26.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -256.440945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.440945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.440945 (E_RNA)
where:
Base-Base interactions energy: -149.256
where: short stacking energy: -90.784
Base-Backbone interact. energy: 0.814
local terms energy: -107.998853
where:
bonds (distance) C4'-P energy: -26.189
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -158.397544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.397544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.397544 (E_RNA)
where:
Base-Base interactions energy: -68.717
where: short stacking energy: -67.357
Base-Backbone interact. energy: -0.115
local terms energy: -89.564794
where:
bonds (distance) C4'-P energy: -21.351
bonds (distance) P-C4' energy: -23.808
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -144.264925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.264925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.264925 (E_RNA)
where:
Base-Base interactions energy: -66.886
where: short stacking energy: -50.332
Base-Backbone interact. energy: -0.618
local terms energy: -76.761567
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -5.208
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: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -133.775240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.775240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.775240 (E_RNA)
where:
Base-Base interactions energy: -45.648
where: short stacking energy: -41.057
Base-Backbone interact. energy: -0.113
local terms energy: -88.013694
where:
bonds (distance) C4'-P energy: -24.472
bonds (distance) P-C4' energy: -24.316
flat angles C4'-P-C4' energy: -27.340
flat angles P-C4'-P energy: -15.202
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: 10, replica: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -137.383098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.383098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.383098 (E_RNA)
where:
Base-Base interactions energy: -57.437
where: short stacking energy: -54.475
Base-Backbone interact. energy: 0.440
local terms energy: -80.385531
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -24.250
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -7.100
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -419.641032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.641032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.641032 (E_RNA)
where:
Base-Base interactions energy: -267.560
where: short stacking energy: -139.477
Base-Backbone interact. energy: -0.000
local terms energy: -152.080728
where:
bonds (distance) C4'-P energy: -25.547
bonds (distance) P-C4' energy: -31.641
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -25.136
tors. eta vs tors. theta energy: -42.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -402.143163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.143163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.143163 (E_RNA)
where:
Base-Base interactions energy: -275.119
where: short stacking energy: -125.518
Base-Backbone interact. energy: -0.707
local terms energy: -126.317074
where:
bonds (distance) C4'-P energy: -22.906
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -28.733
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -37.758
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: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -348.874508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.874508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.874508 (E_RNA)
where:
Base-Base interactions energy: -216.489
where: short stacking energy: -116.422
Base-Backbone interact. energy: 0.244
local terms energy: -132.629581
where:
bonds (distance) C4'-P energy: -25.230
bonds (distance) P-C4' energy: -27.292
flat angles C4'-P-C4' energy: -25.710
flat angles P-C4'-P energy: -19.977
tors. eta vs tors. theta energy: -34.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -352.374604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.374604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.374604 (E_RNA)
where:
Base-Base interactions energy: -212.374
where: short stacking energy: -123.463
Base-Backbone interact. energy: -0.727
local terms energy: -139.273731
where:
bonds (distance) C4'-P energy: -27.680
bonds (distance) P-C4' energy: -27.247
flat angles C4'-P-C4' energy: -22.258
flat angles P-C4'-P energy: -24.117
tors. eta vs tors. theta energy: -37.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -289.147608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.147608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.147608 (E_RNA)
where:
Base-Base interactions energy: -170.926
where: short stacking energy: -107.991
Base-Backbone interact. energy: -0.048
local terms energy: -118.174286
where:
bonds (distance) C4'-P energy: -23.759
bonds (distance) P-C4' energy: -28.952
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -26.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -258.717026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.717026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.717026 (E_RNA)
where:
Base-Base interactions energy: -146.803
where: short stacking energy: -84.293
Base-Backbone interact. energy: -0.211
local terms energy: -111.702750
where:
bonds (distance) C4'-P energy: -23.977
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -27.975
flat angles P-C4'-P energy: -19.797
tors. eta vs tors. theta energy: -19.089
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: 6
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -156.397382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.397382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.397382 (E_RNA)
where:
Base-Base interactions energy: -67.727
where: short stacking energy: -60.166
Base-Backbone interact. energy: 0.428
local terms energy: -89.098205
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -28.719
flat angles C4'-P-C4' energy: -23.533
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: -9.554
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: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -151.737168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.737168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.737168 (E_RNA)
where:
Base-Base interactions energy: -51.647
where: short stacking energy: -51.132
Base-Backbone interact. energy: -0.403
local terms energy: -99.687518
where:
bonds (distance) C4'-P energy: -23.003
bonds (distance) P-C4' energy: -27.103
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -10.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -139.238661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.238661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.238661 (E_RNA)
where:
Base-Base interactions energy: -59.206
where: short stacking energy: -58.750
Base-Backbone interact. energy: -0.300
local terms energy: -79.732775
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -8.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -139.928507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.928507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.928507 (E_RNA)
where:
Base-Base interactions energy: -66.674
where: short stacking energy: -53.575
Base-Backbone interact. energy: -0.407
local terms energy: -72.847860
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -20.034
flat angles C4'-P-C4' energy: -22.174
flat angles P-C4'-P energy: -10.274
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -406.089843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.089843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.089843 (E_RNA)
where:
Base-Base interactions energy: -265.644
where: short stacking energy: -125.642
Base-Backbone interact. energy: -0.941
local terms energy: -139.504624
where:
bonds (distance) C4'-P energy: -26.823
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -27.443
flat angles P-C4'-P energy: -21.573
tors. eta vs tors. theta energy: -35.978
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: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -402.006601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.006601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.006601 (E_RNA)
where:
Base-Base interactions energy: -268.886
where: short stacking energy: -132.182
Base-Backbone interact. energy: -0.481
local terms energy: -132.640120
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -25.151
flat angles C4'-P-C4' energy: -27.320
flat angles P-C4'-P energy: -20.686
tors. eta vs tors. theta energy: -37.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -355.260396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.260396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.260396 (E_RNA)
where:
Base-Base interactions energy: -223.927
where: short stacking energy: -123.321
Base-Backbone interact. energy: -0.121
local terms energy: -131.211743
where:
bonds (distance) C4'-P energy: -24.647
bonds (distance) P-C4' energy: -26.405
flat angles C4'-P-C4' energy: -28.735
flat angles P-C4'-P energy: -17.490
tors. eta vs tors. theta energy: -33.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -330.725463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.725463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.725463 (E_RNA)
where:
Base-Base interactions energy: -208.430
where: short stacking energy: -117.178
Base-Backbone interact. energy: -0.650
local terms energy: -121.645507
where:
bonds (distance) C4'-P energy: -20.188
bonds (distance) P-C4' energy: -27.950
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: -29.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -272.604791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.604791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.604791 (E_RNA)
where:
Base-Base interactions energy: -160.797
where: short stacking energy: -86.317
Base-Backbone interact. energy: -0.140
local terms energy: -111.667697
where:
bonds (distance) C4'-P energy: -24.655
bonds (distance) P-C4' energy: -24.788
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -21.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -258.509041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.509041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.509041 (E_RNA)
where:
Base-Base interactions energy: -157.168
where: short stacking energy: -89.309
Base-Backbone interact. energy: -0.378
local terms energy: -100.962788
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -19.549
flat angles P-C4'-P energy: -19.484
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -158.813801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.813801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.813801 (E_RNA)
where:
Base-Base interactions energy: -62.500
where: short stacking energy: -61.210
Base-Backbone interact. energy: -0.213
local terms energy: -96.100947
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -25.248
flat angles C4'-P-C4' energy: -24.973
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -10.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -150.972313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.972313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.972313 (E_RNA)
where:
Base-Base interactions energy: -65.902
where: short stacking energy: -58.156
Base-Backbone interact. energy: 0.795
local terms energy: -85.865318
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -26.212
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -8.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -150.222321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.222321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.222321 (E_RNA)
where:
Base-Base interactions energy: -60.712
where: short stacking energy: -60.643
Base-Backbone interact. energy: -0.437
local terms energy: -89.072849
where:
bonds (distance) C4'-P energy: -26.091
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -8.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -119.221382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.221382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.221382 (E_RNA)
where:
Base-Base interactions energy: -40.137
where: short stacking energy: -36.761
Base-Backbone interact. energy: -0.309
local terms energy: -78.775111
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -22.447
flat angles C4'-P-C4' energy: -22.892
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -418.874880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.874880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.874880 (E_RNA)
where:
Base-Base interactions energy: -278.460
where: short stacking energy: -132.085
Base-Backbone interact. energy: -0.028
local terms energy: -140.386454
where:
bonds (distance) C4'-P energy: -25.031
bonds (distance) P-C4' energy: -27.815
flat angles C4'-P-C4' energy: -28.645
flat angles P-C4'-P energy: -18.076
tors. eta vs tors. theta energy: -40.820
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: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -405.374390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.374390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.374390 (E_RNA)
where:
Base-Base interactions energy: -264.436
where: short stacking energy: -137.930
Base-Backbone interact. energy: -0.404
local terms energy: -140.535039
where:
bonds (distance) C4'-P energy: -24.647
bonds (distance) P-C4' energy: -29.013
flat angles C4'-P-C4' energy: -26.895
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: -41.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -355.554331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.554331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.554331 (E_RNA)
where:
Base-Base interactions energy: -225.608
where: short stacking energy: -125.439
Base-Backbone interact. energy: 0.139
local terms energy: -130.086090
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -28.884
flat angles C4'-P-C4' energy: -26.588
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -36.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -332.317359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.317359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.317359 (E_RNA)
where:
Base-Base interactions energy: -208.202
where: short stacking energy: -113.119
Base-Backbone interact. energy: -1.594
local terms energy: -122.521864
where:
bonds (distance) C4'-P energy: -25.435
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -32.957
flat angles P-C4'-P energy: -15.777
tors. eta vs tors. theta energy: -25.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -256.890930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.890930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.890930 (E_RNA)
where:
Base-Base interactions energy: -153.445
where: short stacking energy: -88.494
Base-Backbone interact. energy: -0.098
local terms energy: -103.348243
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -26.949
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -18.703
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: 10
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -273.845941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.845941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.845941 (E_RNA)
where:
Base-Base interactions energy: -164.159
where: short stacking energy: -97.845
Base-Backbone interact. energy: -0.656
local terms energy: -109.030982
where:
bonds (distance) C4'-P energy: -26.203
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -27.112
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -147.095496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.095496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.095496 (E_RNA)
where:
Base-Base interactions energy: -59.719
where: short stacking energy: -59.719
Base-Backbone interact. energy: -0.833
local terms energy: -86.544436
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -20.003
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -16.492
tors. eta vs tors. theta energy: -6.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -141.555459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.555459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.555459 (E_RNA)
where:
Base-Base interactions energy: -53.250
where: short stacking energy: -44.187
Base-Backbone interact. energy: -1.170
local terms energy: -87.134787
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -23.040
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -3.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -121.975672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.975672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.975672 (E_RNA)
where:
Base-Base interactions energy: -49.005
where: short stacking energy: -49.005
Base-Backbone interact. energy: 0.393
local terms energy: -73.363663
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -119.333696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.333696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.333696 (E_RNA)
where:
Base-Base interactions energy: -46.576
where: short stacking energy: -46.576
Base-Backbone interact. energy: -0.229
local terms energy: -72.528741
where:
bonds (distance) C4'-P energy: -22.283
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -22.450
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: 2.640
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -408.737643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.737643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.737643 (E_RNA)
where:
Base-Base interactions energy: -266.186
where: short stacking energy: -143.199
Base-Backbone interact. energy: -0.863
local terms energy: -141.688324
where:
bonds (distance) C4'-P energy: -24.094
bonds (distance) P-C4' energy: -29.386
flat angles C4'-P-C4' energy: -28.267
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -44.285
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: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -409.728717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.728717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.728717 (E_RNA)
where:
Base-Base interactions energy: -277.256
where: short stacking energy: -123.271
Base-Backbone interact. energy: -0.011
local terms energy: -132.461503
where:
bonds (distance) C4'-P energy: -21.165
bonds (distance) P-C4' energy: -25.848
flat angles C4'-P-C4' energy: -28.836
flat angles P-C4'-P energy: -20.445
tors. eta vs tors. theta energy: -36.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -344.415922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.415922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.415922 (E_RNA)
where:
Base-Base interactions energy: -217.863
where: short stacking energy: -123.906
Base-Backbone interact. energy: -0.503
local terms energy: -126.049805
where:
bonds (distance) C4'-P energy: -26.440
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -30.650
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -34.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -358.160329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.160329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.160329 (E_RNA)
where:
Base-Base interactions energy: -229.066
where: short stacking energy: -121.430
Base-Backbone interact. energy: -1.935
local terms energy: -127.159360
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -26.510
flat angles C4'-P-C4' energy: -26.333
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -31.801
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: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -271.404221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.404221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.404221 (E_RNA)
where:
Base-Base interactions energy: -163.836
where: short stacking energy: -83.573
Base-Backbone interact. energy: -1.506
local terms energy: -106.062872
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -24.995
flat angles P-C4'-P energy: -17.469
tors. eta vs tors. theta energy: -24.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -287.152018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.152018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.152018 (E_RNA)
where:
Base-Base interactions energy: -170.151
where: short stacking energy: -91.094
Base-Backbone interact. energy: -0.456
local terms energy: -116.545565
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -25.579
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: -28.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -141.646016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.646016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.646016 (E_RNA)
where:
Base-Base interactions energy: -56.882
where: short stacking energy: -44.297
Base-Backbone interact. energy: -0.161
local terms energy: -84.602416
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -19.626
tors. eta vs tors. theta energy: -5.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -141.088822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.088822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.088822 (E_RNA)
where:
Base-Base interactions energy: -49.387
where: short stacking energy: -49.387
Base-Backbone interact. energy: -0.312
local terms energy: -91.389627
where:
bonds (distance) C4'-P energy: -19.078
bonds (distance) P-C4' energy: -30.277
flat angles C4'-P-C4' energy: -22.939
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -5.038
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: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -129.667874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.667874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.667874 (E_RNA)
where:
Base-Base interactions energy: -64.033
where: short stacking energy: -40.586
Base-Backbone interact. energy: -0.135
local terms energy: -65.499615
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -22.952
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -4.978
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: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -124.933719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.933719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.933719 (E_RNA)
where:
Base-Base interactions energy: -41.395
where: short stacking energy: -39.614
Base-Backbone interact. energy: -0.463
local terms energy: -83.076050
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -26.780
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -0.321
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -411.117504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.117504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.117504 (E_RNA)
where:
Base-Base interactions energy: -271.433
where: short stacking energy: -142.006
Base-Backbone interact. energy: -0.541
local terms energy: -139.143476
where:
bonds (distance) C4'-P energy: -27.673
bonds (distance) P-C4' energy: -23.932
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -42.684
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: 4
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -409.983500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.983500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.983500 (E_RNA)
where:
Base-Base interactions energy: -265.653
where: short stacking energy: -131.741
Base-Backbone interact. energy: -0.407
local terms energy: -143.924219
where:
bonds (distance) C4'-P energy: -27.614
bonds (distance) P-C4' energy: -28.219
flat angles C4'-P-C4' energy: -27.999
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -39.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -358.945744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.945744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.945744 (E_RNA)
where:
Base-Base interactions energy: -230.847
where: short stacking energy: -136.983
Base-Backbone interact. energy: -0.062
local terms energy: -128.036729
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -26.769
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -37.843
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: 1
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -367.399075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.399075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.399075 (E_RNA)
where:
Base-Base interactions energy: -232.604
where: short stacking energy: -130.083
Base-Backbone interact. energy: -0.153
local terms energy: -134.641187
where:
bonds (distance) C4'-P energy: -25.284
bonds (distance) P-C4' energy: -29.746
flat angles C4'-P-C4' energy: -31.008
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -34.754
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: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -288.737734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.737734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.737734 (E_RNA)
where:
Base-Base interactions energy: -173.345
where: short stacking energy: -85.320
Base-Backbone interact. energy: -0.306
local terms energy: -115.087047
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -28.657
flat angles C4'-P-C4' energy: -27.138
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -275.575465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.575465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.575465 (E_RNA)
where:
Base-Base interactions energy: -168.439
where: short stacking energy: -87.461
Base-Backbone interact. energy: -0.249
local terms energy: -106.887923
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -27.664
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -24.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -151.386479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.386479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.386479 (E_RNA)
where:
Base-Base interactions energy: -72.138
where: short stacking energy: -72.338
Base-Backbone interact. energy: -1.846
local terms energy: -77.402913
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -15.950
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: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -129.944988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.944988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.944988 (E_RNA)
where:
Base-Base interactions energy: -46.834
where: short stacking energy: -46.834
Base-Backbone interact. energy: -0.480
local terms energy: -82.630585
where:
bonds (distance) C4'-P energy: -21.347
bonds (distance) P-C4' energy: -27.498
flat angles C4'-P-C4' energy: -23.580
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -4.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -130.745677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.745677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.745677 (E_RNA)
where:
Base-Base interactions energy: -45.795
where: short stacking energy: -44.447
Base-Backbone interact. energy: 0.267
local terms energy: -85.218015
where:
bonds (distance) C4'-P energy: -21.250
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -7.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -135.889337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.889337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.889337 (E_RNA)
where:
Base-Base interactions energy: -51.760
where: short stacking energy: -41.077
Base-Backbone interact. energy: -0.728
local terms energy: -83.401065
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -28.604
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: 4.355
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -411.991733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.991733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.991733 (E_RNA)
where:
Base-Base interactions energy: -266.519
where: short stacking energy: -144.971
Base-Backbone interact. energy: -0.024
local terms energy: -145.448893
where:
bonds (distance) C4'-P energy: -23.144
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -30.604
flat angles P-C4'-P energy: -19.645
tors. eta vs tors. theta energy: -41.998
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: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -396.916434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.916434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.916434 (E_RNA)
where:
Base-Base interactions energy: -256.421
where: short stacking energy: -127.384
Base-Backbone interact. energy: -0.699
local terms energy: -139.796454
where:
bonds (distance) C4'-P energy: -26.645
bonds (distance) P-C4' energy: -29.216
flat angles C4'-P-C4' energy: -30.854
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -35.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -353.278378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.278378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.278378 (E_RNA)
where:
Base-Base interactions energy: -225.463
where: short stacking energy: -124.343
Base-Backbone interact. energy: -0.859
local terms energy: -126.955724
where:
bonds (distance) C4'-P energy: -23.926
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -25.978
flat angles P-C4'-P energy: -21.796
tors. eta vs tors. theta energy: -32.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -346.029646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.029646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.029646 (E_RNA)
where:
Base-Base interactions energy: -218.636
where: short stacking energy: -118.786
Base-Backbone interact. energy: -0.831
local terms energy: -126.562653
where:
bonds (distance) C4'-P energy: -21.743
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -31.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -274.809331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.809331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.809331 (E_RNA)
where:
Base-Base interactions energy: -161.892
where: short stacking energy: -101.072
Base-Backbone interact. energy: 0.429
local terms energy: -113.347052
where:
bonds (distance) C4'-P energy: -21.032
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -28.010
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -25.669
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: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -243.636888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.636888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.636888 (E_RNA)
where:
Base-Base interactions energy: -133.125
where: short stacking energy: -83.224
Base-Backbone interact. energy: -0.446
local terms energy: -110.066233
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -28.686
flat angles C4'-P-C4' energy: -24.086
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -17.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -152.725011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.725011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.725011 (E_RNA)
where:
Base-Base interactions energy: -68.241
where: short stacking energy: -59.916
Base-Backbone interact. energy: 0.429
local terms energy: -84.912923
where:
bonds (distance) C4'-P energy: -24.618
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -29.483
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -4.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -133.728863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.728863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.728863 (E_RNA)
where:
Base-Base interactions energy: -52.733
where: short stacking energy: -48.331
Base-Backbone interact. energy: 1.503
local terms energy: -82.498136
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -27.235
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: 0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -133.427182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.427182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.427182 (E_RNA)
where:
Base-Base interactions energy: -46.902
where: short stacking energy: -46.902
Base-Backbone interact. energy: -0.634
local terms energy: -85.890497
where:
bonds (distance) C4'-P energy: -23.454
bonds (distance) P-C4' energy: -26.312
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -125.943234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.943234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.943234 (E_RNA)
where:
Base-Base interactions energy: -50.359
where: short stacking energy: -42.347
Base-Backbone interact. energy: -0.789
local terms energy: -74.795611
where:
bonds (distance) C4'-P energy: -23.990
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -24.544
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: 0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -416.908647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.908647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.908647 (E_RNA)
where:
Base-Base interactions energy: -268.819
where: short stacking energy: -135.920
Base-Backbone interact. energy: 0.452
local terms energy: -148.541085
where:
bonds (distance) C4'-P energy: -27.093
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -30.231
flat angles P-C4'-P energy: -22.717
tors. eta vs tors. theta energy: -42.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -397.831647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.831647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.831647 (E_RNA)
where:
Base-Base interactions energy: -265.271
where: short stacking energy: -130.445
Base-Backbone interact. energy: -0.239
local terms energy: -132.321797
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -28.366
flat angles C4'-P-C4' energy: -25.942
flat angles P-C4'-P energy: -20.464
tors. eta vs tors. theta energy: -35.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -347.154122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.154122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.154122 (E_RNA)
where:
Base-Base interactions energy: -214.459
where: short stacking energy: -127.098
Base-Backbone interact. energy: -0.071
local terms energy: -132.624751
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -27.080
flat angles C4'-P-C4' energy: -28.072
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: -32.920
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: 9
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -344.523798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.523798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.523798 (E_RNA)
where:
Base-Base interactions energy: -216.268
where: short stacking energy: -116.907
Base-Backbone interact. energy: -0.401
local terms energy: -127.854851
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -25.108
flat angles C4'-P-C4' energy: -30.893
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -34.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -267.068573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.068573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.068573 (E_RNA)
where:
Base-Base interactions energy: -162.329
where: short stacking energy: -95.127
Base-Backbone interact. energy: -0.550
local terms energy: -104.189556
where:
bonds (distance) C4'-P energy: -24.159
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -24.316
flat angles P-C4'-P energy: -15.146
tors. eta vs tors. theta energy: -20.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -248.879182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.879182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.879182 (E_RNA)
where:
Base-Base interactions energy: -156.825
where: short stacking energy: -94.476
Base-Backbone interact. energy: -0.119
local terms energy: -91.935722
where:
bonds (distance) C4'-P energy: -23.778
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -15.678
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: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -183.012144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.012144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.012144 (E_RNA)
where:
Base-Base interactions energy: -82.271
where: short stacking energy: -76.848
Base-Backbone interact. energy: -0.181
local terms energy: -100.560154
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -25.643
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -139.201166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.201166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.201166 (E_RNA)
where:
Base-Base interactions energy: -47.853
where: short stacking energy: -47.265
Base-Backbone interact. energy: 0.125
local terms energy: -91.473330
where:
bonds (distance) C4'-P energy: -22.017
bonds (distance) P-C4' energy: -22.805
flat angles C4'-P-C4' energy: -22.386
flat angles P-C4'-P energy: -18.504
tors. eta vs tors. theta energy: -5.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -137.041073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.041073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.041073 (E_RNA)
where:
Base-Base interactions energy: -49.442
where: short stacking energy: -46.625
Base-Backbone interact. energy: 3.176
local terms energy: -90.775226
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -27.196
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -20.030
tors. eta vs tors. theta energy: 4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -129.270837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.270837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.270837 (E_RNA)
where:
Base-Base interactions energy: -58.260
where: short stacking energy: -50.223
Base-Backbone interact. energy: -0.035
local terms energy: -70.976332
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -23.696
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -8.555
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -404.276660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.276660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.276660 (E_RNA)
where:
Base-Base interactions energy: -258.408
where: short stacking energy: -131.492
Base-Backbone interact. energy: -0.443
local terms energy: -145.425045
where:
bonds (distance) C4'-P energy: -26.687
bonds (distance) P-C4' energy: -31.057
flat angles C4'-P-C4' energy: -28.001
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: -39.671
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: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -397.713798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.713798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.713798 (E_RNA)
where:
Base-Base interactions energy: -272.334
where: short stacking energy: -128.489
Base-Backbone interact. energy: -0.294
local terms energy: -125.085681
where:
bonds (distance) C4'-P energy: -25.953
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -23.874
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -39.572
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: 1
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -357.768125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.768125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.768125 (E_RNA)
where:
Base-Base interactions energy: -235.790
where: short stacking energy: -111.883
Base-Backbone interact. energy: -0.330
local terms energy: -121.648324
where:
bonds (distance) C4'-P energy: -26.749
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -32.477
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -26.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -333.996240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.996240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.996240 (E_RNA)
where:
Base-Base interactions energy: -210.979
where: short stacking energy: -126.099
Base-Backbone interact. energy: -0.049
local terms energy: -122.968104
where:
bonds (distance) C4'-P energy: -22.734
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -19.168
tors. eta vs tors. theta energy: -34.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -281.573305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.573305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.573305 (E_RNA)
where:
Base-Base interactions energy: -164.594
where: short stacking energy: -102.224
Base-Backbone interact. energy: 0.279
local terms energy: -117.257762
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -27.590
flat angles C4'-P-C4' energy: -27.749
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -28.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -264.534119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.534119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.534119 (E_RNA)
where:
Base-Base interactions energy: -163.241
where: short stacking energy: -101.063
Base-Backbone interact. energy: 0.196
local terms energy: -101.488446
where:
bonds (distance) C4'-P energy: -23.041
bonds (distance) P-C4' energy: -25.311
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -24.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -149.977366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.977366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.977366 (E_RNA)
where:
Base-Base interactions energy: -56.510
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.713
local terms energy: -92.753835
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -14.380
tors. eta vs tors. theta energy: -11.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -136.928625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.928625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.928625 (E_RNA)
where:
Base-Base interactions energy: -58.918
where: short stacking energy: -56.181
Base-Backbone interact. energy: -1.377
local terms energy: -76.634003
where:
bonds (distance) C4'-P energy: -22.770
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -21.654
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -1.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -137.459189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.459189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.459189 (E_RNA)
where:
Base-Base interactions energy: -61.341
where: short stacking energy: -55.977
Base-Backbone interact. energy: -0.639
local terms energy: -75.479229
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -10.730
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: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -119.515082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.515082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.515082 (E_RNA)
where:
Base-Base interactions energy: -44.582
where: short stacking energy: -38.613
Base-Backbone interact. energy: -1.037
local terms energy: -73.896039
where:
bonds (distance) C4'-P energy: -23.079
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: 3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -402.022900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.022900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.022900 (E_RNA)
where:
Base-Base interactions energy: -269.569
where: short stacking energy: -133.837
Base-Backbone interact. energy: -0.444
local terms energy: -132.009912
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -24.214
flat angles C4'-P-C4' energy: -30.175
flat angles P-C4'-P energy: -18.639
tors. eta vs tors. theta energy: -36.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -380.565240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.565240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.565240 (E_RNA)
where:
Base-Base interactions energy: -251.863
where: short stacking energy: -139.264
Base-Backbone interact. energy: 0.250
local terms energy: -128.952876
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -24.670
flat angles C4'-P-C4' energy: -28.871
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -35.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -366.316583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.316583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.316583 (E_RNA)
where:
Base-Base interactions energy: -238.820
where: short stacking energy: -129.871
Base-Backbone interact. energy: -1.692
local terms energy: -125.805400
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -30.256
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: -29.794
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: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -349.687972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.687972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.687972 (E_RNA)
where:
Base-Base interactions energy: -220.320
where: short stacking energy: -116.267
Base-Backbone interact. energy: -0.852
local terms energy: -128.515903
where:
bonds (distance) C4'-P energy: -29.370
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -27.547
flat angles P-C4'-P energy: -16.290
tors. eta vs tors. theta energy: -32.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -291.519497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.519497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.519497 (E_RNA)
where:
Base-Base interactions energy: -174.708
where: short stacking energy: -100.919
Base-Backbone interact. energy: -0.003
local terms energy: -116.808348
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -25.932
flat angles C4'-P-C4' energy: -25.949
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -25.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -286.103123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.103123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.103123 (E_RNA)
where:
Base-Base interactions energy: -166.532
where: short stacking energy: -88.867
Base-Backbone interact. energy: -0.084
local terms energy: -119.487102
where:
bonds (distance) C4'-P energy: -27.275
bonds (distance) P-C4' energy: -25.140
flat angles C4'-P-C4' energy: -26.424
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -24.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -157.679850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.679850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.679850 (E_RNA)
where:
Base-Base interactions energy: -61.870
where: short stacking energy: -61.541
Base-Backbone interact. energy: -0.041
local terms energy: -95.769124
where:
bonds (distance) C4'-P energy: -21.687
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -25.024
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -142.582168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.582168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.582168 (E_RNA)
where:
Base-Base interactions energy: -43.254
where: short stacking energy: -43.090
Base-Backbone interact. energy: 0.046
local terms energy: -99.373936
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -25.569
flat angles C4'-P-C4' energy: -25.099
flat angles P-C4'-P energy: -18.890
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: 9, replica: 5
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -131.801374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.801374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.801374 (E_RNA)
where:
Base-Base interactions energy: -42.523
where: short stacking energy: -33.004
Base-Backbone interact. energy: -0.480
local terms energy: -88.798897
where:
bonds (distance) C4'-P energy: -25.353
bonds (distance) P-C4' energy: -24.379
flat angles C4'-P-C4' energy: -23.455
flat angles P-C4'-P energy: -14.728
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -128.368954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.368954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.368954 (E_RNA)
where:
Base-Base interactions energy: -47.877
where: short stacking energy: -46.938
Base-Backbone interact. energy: -0.483
local terms energy: -80.008951
where:
bonds (distance) C4'-P energy: -24.434
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -15.696
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -411.501657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.501657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.501657 (E_RNA)
where:
Base-Base interactions energy: -275.742
where: short stacking energy: -136.295
Base-Backbone interact. energy: -0.424
local terms energy: -135.335640
where:
bonds (distance) C4'-P energy: -26.080
bonds (distance) P-C4' energy: -24.713
flat angles C4'-P-C4' energy: -24.278
flat angles P-C4'-P energy: -21.758
tors. eta vs tors. theta energy: -38.506
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: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -403.737278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.737278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.737278 (E_RNA)
where:
Base-Base interactions energy: -268.429
where: short stacking energy: -139.384
Base-Backbone interact. energy: -0.002
local terms energy: -135.307018
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -27.603
flat angles C4'-P-C4' energy: -28.223
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -37.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -373.199769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.199769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.199769 (E_RNA)
where:
Base-Base interactions energy: -244.503
where: short stacking energy: -120.728
Base-Backbone interact. energy: -1.552
local terms energy: -127.145197
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -24.464
flat angles C4'-P-C4' energy: -27.777
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -34.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -362.514059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.514059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.514059 (E_RNA)
where:
Base-Base interactions energy: -234.010
where: short stacking energy: -123.980
Base-Backbone interact. energy: -0.937
local terms energy: -127.567840
where:
bonds (distance) C4'-P energy: -24.898
bonds (distance) P-C4' energy: -24.044
flat angles C4'-P-C4' energy: -26.802
flat angles P-C4'-P energy: -16.480
tors. eta vs tors. theta energy: -35.343
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: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -300.841382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.841382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.841382 (E_RNA)
where:
Base-Base interactions energy: -181.594
where: short stacking energy: -94.300
Base-Backbone interact. energy: -0.966
local terms energy: -118.281089
where:
bonds (distance) C4'-P energy: -25.095
bonds (distance) P-C4' energy: -28.769
flat angles C4'-P-C4' energy: -25.878
flat angles P-C4'-P energy: -17.452
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -300.018616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.018616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.018616 (E_RNA)
where:
Base-Base interactions energy: -188.234
where: short stacking energy: -101.322
Base-Backbone interact. energy: -0.010
local terms energy: -111.774784
where:
bonds (distance) C4'-P energy: -28.012
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -27.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -154.377107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.377107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.377107 (E_RNA)
where:
Base-Base interactions energy: -60.648
where: short stacking energy: -60.120
Base-Backbone interact. energy: -0.180
local terms energy: -93.549185
where:
bonds (distance) C4'-P energy: -20.602
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -19.619
tors. eta vs tors. theta energy: -7.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -142.595518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.595518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.595518 (E_RNA)
where:
Base-Base interactions energy: -64.514
where: short stacking energy: -64.367
Base-Backbone interact. energy: -0.038
local terms energy: -78.043433
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -25.760
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -3.029
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: 9, replica: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -140.964992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.964992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.964992 (E_RNA)
where:
Base-Base interactions energy: -54.704
where: short stacking energy: -43.885
Base-Backbone interact. energy: -0.032
local terms energy: -86.228937
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -24.262
flat angles P-C4'-P energy: -16.545
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: 10, replica: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -140.457418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.457418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.457418 (E_RNA)
where:
Base-Base interactions energy: -57.573
where: short stacking energy: -33.862
Base-Backbone interact. energy: -0.516
local terms energy: -82.368381
where:
bonds (distance) C4'-P energy: -24.022
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -26.709
flat angles P-C4'-P energy: -13.046
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -414.084963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.084963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.084963 (E_RNA)
where:
Base-Base interactions energy: -276.517
where: short stacking energy: -129.690
Base-Backbone interact. energy: -2.179
local terms energy: -135.388763
where:
bonds (distance) C4'-P energy: -23.550
bonds (distance) P-C4' energy: -25.102
flat angles C4'-P-C4' energy: -29.448
flat angles P-C4'-P energy: -20.862
tors. eta vs tors. theta energy: -36.427
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: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -404.716236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.716236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.716236 (E_RNA)
where:
Base-Base interactions energy: -266.005
where: short stacking energy: -126.021
Base-Backbone interact. energy: -0.008
local terms energy: -138.703474
where:
bonds (distance) C4'-P energy: -25.887
bonds (distance) P-C4' energy: -29.434
flat angles C4'-P-C4' energy: -28.690
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -39.488
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: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -341.753552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.753552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.753552 (E_RNA)
where:
Base-Base interactions energy: -219.948
where: short stacking energy: -109.359
Base-Backbone interact. energy: -0.204
local terms energy: -121.601259
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -30.080
flat angles C4'-P-C4' energy: -24.867
flat angles P-C4'-P energy: -18.024
tors. eta vs tors. theta energy: -25.522
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: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -352.846392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.846392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.846392 (E_RNA)
where:
Base-Base interactions energy: -216.910
where: short stacking energy: -122.152
Base-Backbone interact. energy: -0.159
local terms energy: -135.777556
where:
bonds (distance) C4'-P energy: -23.229
bonds (distance) P-C4' energy: -27.266
flat angles C4'-P-C4' energy: -30.543
flat angles P-C4'-P energy: -21.114
tors. eta vs tors. theta energy: -33.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -287.924246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.924246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.924246 (E_RNA)
where:
Base-Base interactions energy: -180.951
where: short stacking energy: -104.357
Base-Backbone interact. energy: -0.682
local terms energy: -106.290903
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -24.611
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -269.208065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.208065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.208065 (E_RNA)
where:
Base-Base interactions energy: -164.068
where: short stacking energy: -94.633
Base-Backbone interact. energy: -0.291
local terms energy: -104.849206
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -25.841
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -22.004
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: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -163.439192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.439192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.439192 (E_RNA)
where:
Base-Base interactions energy: -74.636
where: short stacking energy: -52.605
Base-Backbone interact. energy: -0.304
local terms energy: -88.498780
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -7.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -134.182114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.182114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.182114 (E_RNA)
where:
Base-Base interactions energy: -51.465
where: short stacking energy: -47.990
Base-Backbone interact. energy: -0.212
local terms energy: -82.505458
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -15.641
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: 9, replica: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -141.565614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.565614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.565614 (E_RNA)
where:
Base-Base interactions energy: -52.755
where: short stacking energy: -39.819
Base-Backbone interact. energy: 3.139
local terms energy: -91.948892
where:
bonds (distance) C4'-P energy: -24.451
bonds (distance) P-C4' energy: -24.224
flat angles C4'-P-C4' energy: -21.311
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -8.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -121.808432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.808432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.808432 (E_RNA)
where:
Base-Base interactions energy: -43.588
where: short stacking energy: -42.999
Base-Backbone interact. energy: -0.737
local terms energy: -77.483319
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -10.306
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -405.585124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.585124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.585124 (E_RNA)
where:
Base-Base interactions energy: -280.146
where: short stacking energy: -133.292
Base-Backbone interact. energy: -1.877
local terms energy: -123.561683
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -27.050
flat angles C4'-P-C4' energy: -23.816
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -38.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -418.424568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.424568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.424568 (E_RNA)
where:
Base-Base interactions energy: -275.841
where: short stacking energy: -127.316
Base-Backbone interact. energy: -1.012
local terms energy: -141.571156
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -27.446
flat angles P-C4'-P energy: -20.756
tors. eta vs tors. theta energy: -42.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -360.959906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.959906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.959906 (E_RNA)
where:
Base-Base interactions energy: -226.435
where: short stacking energy: -124.433
Base-Backbone interact. energy: 0.505
local terms energy: -135.029638
where:
bonds (distance) C4'-P energy: -22.207
bonds (distance) P-C4' energy: -27.109
flat angles C4'-P-C4' energy: -30.517
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -35.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -342.763082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.763082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.763082 (E_RNA)
where:
Base-Base interactions energy: -210.484
where: short stacking energy: -100.689
Base-Backbone interact. energy: -1.483
local terms energy: -130.795531
where:
bonds (distance) C4'-P energy: -26.895
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -30.625
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -30.178
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: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -284.057484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.057484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.057484 (E_RNA)
where:
Base-Base interactions energy: -171.327
where: short stacking energy: -95.818
Base-Backbone interact. energy: -0.829
local terms energy: -111.901162
where:
bonds (distance) C4'-P energy: -24.046
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -27.593
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -29.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -286.740502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.740502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.740502 (E_RNA)
where:
Base-Base interactions energy: -182.546
where: short stacking energy: -97.586
Base-Backbone interact. energy: -0.067
local terms energy: -104.127263
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -23.890
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -21.085
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: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -151.484444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.484444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.484444 (E_RNA)
where:
Base-Base interactions energy: -54.843
where: short stacking energy: -54.733
Base-Backbone interact. energy: 0.001
local terms energy: -96.641853
where:
bonds (distance) C4'-P energy: -25.150
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -20.328
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -141.545210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.545210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.545210 (E_RNA)
where:
Base-Base interactions energy: -53.970
where: short stacking energy: -49.389
Base-Backbone interact. energy: 3.584
local terms energy: -91.159751
where:
bonds (distance) C4'-P energy: -24.618
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -129.790129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.790129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.790129 (E_RNA)
where:
Base-Base interactions energy: -37.779
where: short stacking energy: -33.221
Base-Backbone interact. energy: -1.476
local terms energy: -90.535190
where:
bonds (distance) C4'-P energy: -26.380
bonds (distance) P-C4' energy: -20.708
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -122.393479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.393479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.393479 (E_RNA)
where:
Base-Base interactions energy: -38.033
where: short stacking energy: -38.033
Base-Backbone interact. energy: -0.308
local terms energy: -84.052472
where:
bonds (distance) C4'-P energy: -22.589
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -22.812
flat angles P-C4'-P energy: -20.945
tors. eta vs tors. theta energy: 0.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -410.712914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.712914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.712914 (E_RNA)
where:
Base-Base interactions energy: -288.126
where: short stacking energy: -130.889
Base-Backbone interact. energy: -0.637
local terms energy: -121.950031
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -23.520
flat angles C4'-P-C4' energy: -23.221
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -40.564
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: 133
Temperature: 0.950000
Total energy: -403.319274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.319274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.319274 (E_RNA)
where:
Base-Base interactions energy: -265.020
where: short stacking energy: -138.047
Base-Backbone interact. energy: -0.001
local terms energy: -138.297894
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -22.863
flat angles C4'-P-C4' energy: -26.669
flat angles P-C4'-P energy: -23.738
tors. eta vs tors. theta energy: -41.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -366.412072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.412072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.412072 (E_RNA)
where:
Base-Base interactions energy: -227.026
where: short stacking energy: -127.796
Base-Backbone interact. energy: -0.241
local terms energy: -139.145766
where:
bonds (distance) C4'-P energy: -23.038
bonds (distance) P-C4' energy: -29.464
flat angles C4'-P-C4' energy: -26.623
flat angles P-C4'-P energy: -17.902
tors. eta vs tors. theta energy: -42.118
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: 4, replica: 9
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -355.178619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.178619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.178619 (E_RNA)
where:
Base-Base interactions energy: -223.283
where: short stacking energy: -128.846
Base-Backbone interact. energy: -0.472
local terms energy: -131.423938
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -21.434
tors. eta vs tors. theta energy: -38.369
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: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -297.085281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.085281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.085281 (E_RNA)
where:
Base-Base interactions energy: -178.117
where: short stacking energy: -99.798
Base-Backbone interact. energy: -2.145
local terms energy: -116.823167
where:
bonds (distance) C4'-P energy: -25.639
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -25.886
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -27.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -265.353635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.353635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.353635 (E_RNA)
where:
Base-Base interactions energy: -158.984
where: short stacking energy: -82.052
Base-Backbone interact. energy: 0.205
local terms energy: -106.573999
where:
bonds (distance) C4'-P energy: -25.885
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -25.647
flat angles P-C4'-P energy: -17.293
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: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -152.685322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.685322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.685322 (E_RNA)
where:
Base-Base interactions energy: -54.434
where: short stacking energy: -54.007
Base-Backbone interact. energy: -0.481
local terms energy: -97.770423
where:
bonds (distance) C4'-P energy: -23.688
bonds (distance) P-C4' energy: -24.519
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -10.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -153.368113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.368113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.368113 (E_RNA)
where:
Base-Base interactions energy: -60.118
where: short stacking energy: -60.118
Base-Backbone interact. energy: 0.050
local terms energy: -93.300431
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -27.549
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -17.133
tors. eta vs tors. theta energy: -10.916
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: 133
Temperature: 1.300000
Total energy: -127.142165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.142165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.142165 (E_RNA)
where:
Base-Base interactions energy: -53.345
where: short stacking energy: -49.782
Base-Backbone interact. energy: -0.493
local terms energy: -73.304254
where:
bonds (distance) C4'-P energy: -23.989
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -1.952
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: 3
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -130.286041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.286041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.286041 (E_RNA)
where:
Base-Base interactions energy: -58.095
where: short stacking energy: -45.634
Base-Backbone interact. energy: 0.353
local terms energy: -72.543787
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -417.511149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.511149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.511149 (E_RNA)
where:
Base-Base interactions energy: -277.809
where: short stacking energy: -127.541
Base-Backbone interact. energy: -0.786
local terms energy: -138.916745
where:
bonds (distance) C4'-P energy: -27.243
bonds (distance) P-C4' energy: -22.483
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -20.603
tors. eta vs tors. theta energy: -42.168
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: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -411.130500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.130500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.130500 (E_RNA)
where:
Base-Base interactions energy: -270.550
where: short stacking energy: -147.510
Base-Backbone interact. energy: -0.003
local terms energy: -140.577140
where:
bonds (distance) C4'-P energy: -25.069
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -30.701
flat angles P-C4'-P energy: -19.431
tors. eta vs tors. theta energy: -40.773
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: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -336.165281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.165281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.165281 (E_RNA)
where:
Base-Base interactions energy: -213.203
where: short stacking energy: -116.420
Base-Backbone interact. energy: -0.666
local terms energy: -122.296248
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -24.261
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -28.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -342.388417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.388417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.388417 (E_RNA)
where:
Base-Base interactions energy: -210.585
where: short stacking energy: -116.863
Base-Backbone interact. energy: -1.933
local terms energy: -129.869981
where:
bonds (distance) C4'-P energy: -27.917
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -26.502
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: -30.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -295.184622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.184622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.184622 (E_RNA)
where:
Base-Base interactions energy: -173.922
where: short stacking energy: -89.032
Base-Backbone interact. energy: -0.978
local terms energy: -120.284974
where:
bonds (distance) C4'-P energy: -24.208
bonds (distance) P-C4' energy: -28.452
flat angles C4'-P-C4' energy: -27.614
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -24.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -272.464150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.464150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.464150 (E_RNA)
where:
Base-Base interactions energy: -168.814
where: short stacking energy: -82.362
Base-Backbone interact. energy: 1.286
local terms energy: -104.936090
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -28.987
flat angles C4'-P-C4' energy: -23.167
flat angles P-C4'-P energy: -13.638
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: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -144.103288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.103288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.103288 (E_RNA)
where:
Base-Base interactions energy: -54.328
where: short stacking energy: -44.409
Base-Backbone interact. energy: -0.465
local terms energy: -89.309895
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -28.982
flat angles C4'-P-C4' energy: -28.631
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -150.289443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.289443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.289443 (E_RNA)
where:
Base-Base interactions energy: -72.216
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.120
local terms energy: -77.953779
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -23.692
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -139.883897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.883897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.883897 (E_RNA)
where:
Base-Base interactions energy: -53.841
where: short stacking energy: -51.824
Base-Backbone interact. energy: -0.188
local terms energy: -85.855403
where:
bonds (distance) C4'-P energy: -22.311
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -24.654
flat angles P-C4'-P energy: -2.931
tors. eta vs tors. theta energy: -12.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -125.522734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.522734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.522734 (E_RNA)
where:
Base-Base interactions energy: -48.784
where: short stacking energy: -43.436
Base-Backbone interact. energy: 0.041
local terms energy: -76.778939
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -8.490
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -411.830230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.830230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.830230 (E_RNA)
where:
Base-Base interactions energy: -280.067
where: short stacking energy: -133.667
Base-Backbone interact. energy: -1.749
local terms energy: -130.014945
where:
bonds (distance) C4'-P energy: -25.827
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -26.987
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -37.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -406.111082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.111082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.111082 (E_RNA)
where:
Base-Base interactions energy: -272.948
where: short stacking energy: -125.520
Base-Backbone interact. energy: 0.473
local terms energy: -133.636345
where:
bonds (distance) C4'-P energy: -25.085
bonds (distance) P-C4' energy: -21.473
flat angles C4'-P-C4' energy: -24.993
flat angles P-C4'-P energy: -19.930
tors. eta vs tors. theta energy: -42.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -353.990212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.990212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.990212 (E_RNA)
where:
Base-Base interactions energy: -218.742
where: short stacking energy: -119.622
Base-Backbone interact. energy: -0.222
local terms energy: -135.025955
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -28.959
flat angles C4'-P-C4' energy: -28.683
flat angles P-C4'-P energy: -23.088
tors. eta vs tors. theta energy: -31.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -312.483571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.483571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.483571 (E_RNA)
where:
Base-Base interactions energy: -200.116
where: short stacking energy: -117.362
Base-Backbone interact. energy: -0.024
local terms energy: -112.343064
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -26.826
flat angles C4'-P-C4' energy: -25.580
flat angles P-C4'-P energy: -17.198
tors. eta vs tors. theta energy: -21.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -291.212530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.212530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.212530 (E_RNA)
where:
Base-Base interactions energy: -187.460
where: short stacking energy: -101.939
Base-Backbone interact. energy: -0.793
local terms energy: -102.959738
where:
bonds (distance) C4'-P energy: -27.147
bonds (distance) P-C4' energy: -24.849
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -253.872305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.872305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.872305 (E_RNA)
where:
Base-Base interactions energy: -142.611
where: short stacking energy: -86.113
Base-Backbone interact. energy: -0.777
local terms energy: -110.484074
where:
bonds (distance) C4'-P energy: -22.954
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -18.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -161.176508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.176508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.176508 (E_RNA)
where:
Base-Base interactions energy: -65.186
where: short stacking energy: -65.186
Base-Backbone interact. energy: -0.568
local terms energy: -95.422608
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -26.297
flat angles C4'-P-C4' energy: -25.846
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -10.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -146.468643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.468643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.468643 (E_RNA)
where:
Base-Base interactions energy: -69.474
where: short stacking energy: -53.771
Base-Backbone interact. energy: 1.794
local terms energy: -78.788857
where:
bonds (distance) C4'-P energy: -24.853
bonds (distance) P-C4' energy: -18.656
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -9.192
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: 9, replica: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -155.130519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.130519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.130519 (E_RNA)
where:
Base-Base interactions energy: -66.542
where: short stacking energy: -54.124
Base-Backbone interact. energy: -0.177
local terms energy: -88.411637
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -24.845
flat angles C4'-P-C4' energy: -24.719
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -8.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -138.453081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.453081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.453081 (E_RNA)
where:
Base-Base interactions energy: -54.368
where: short stacking energy: -44.656
Base-Backbone interact. energy: -0.765
local terms energy: -83.320629
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -27.101
flat angles C4'-P-C4' energy: -22.534
flat angles P-C4'-P energy: -15.592
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -413.390775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.390775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.390775 (E_RNA)
where:
Base-Base interactions energy: -273.681
where: short stacking energy: -122.259
Base-Backbone interact. energy: -1.527
local terms energy: -138.182731
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -27.173
flat angles C4'-P-C4' energy: -30.868
flat angles P-C4'-P energy: -20.301
tors. eta vs tors. theta energy: -37.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -398.966250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.966250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.966250 (E_RNA)
where:
Base-Base interactions energy: -257.995
where: short stacking energy: -144.054
Base-Backbone interact. energy: -0.134
local terms energy: -140.837304
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -27.069
flat angles C4'-P-C4' energy: -29.185
flat angles P-C4'-P energy: -23.871
tors. eta vs tors. theta energy: -40.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -355.648908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.648908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.648908 (E_RNA)
where:
Base-Base interactions energy: -227.342
where: short stacking energy: -122.815
Base-Backbone interact. energy: -0.096
local terms energy: -128.211053
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -25.140
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -36.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -333.378954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.378954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.378954 (E_RNA)
where:
Base-Base interactions energy: -226.729
where: short stacking energy: -129.075
Base-Backbone interact. energy: -0.048
local terms energy: -106.602177
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -25.397
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -32.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -260.432915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.432915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.432915 (E_RNA)
where:
Base-Base interactions energy: -152.975
where: short stacking energy: -98.396
Base-Backbone interact. energy: -0.333
local terms energy: -107.125050
where:
bonds (distance) C4'-P energy: -22.188
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -21.014
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -256.873657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.873657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.873657 (E_RNA)
where:
Base-Base interactions energy: -159.417
where: short stacking energy: -83.721
Base-Backbone interact. energy: -0.509
local terms energy: -96.946733
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -24.840
flat angles P-C4'-P energy: -9.218
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: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -157.757860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.757860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.757860 (E_RNA)
where:
Base-Base interactions energy: -66.383
where: short stacking energy: -65.616
Base-Backbone interact. energy: 1.890
local terms energy: -93.265002
where:
bonds (distance) C4'-P energy: -20.228
bonds (distance) P-C4' energy: -24.939
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -149.640800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.640800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.640800 (E_RNA)
where:
Base-Base interactions energy: -57.318
where: short stacking energy: -56.369
Base-Backbone interact. energy: -0.787
local terms energy: -91.535923
where:
bonds (distance) C4'-P energy: -20.759
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -20.449
tors. eta vs tors. theta energy: -8.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -143.682904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.682904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.682904 (E_RNA)
where:
Base-Base interactions energy: -63.461
where: short stacking energy: -52.519
Base-Backbone interact. energy: -0.225
local terms energy: -79.997577
where:
bonds (distance) C4'-P energy: -25.631
bonds (distance) P-C4' energy: -25.965
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -8.715
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: 10, replica: 3
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -122.698482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.698482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.698482 (E_RNA)
where:
Base-Base interactions energy: -46.051
where: short stacking energy: -38.987
Base-Backbone interact. energy: -0.281
local terms energy: -76.365903
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: 2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -406.415745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.415745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.415745 (E_RNA)
where:
Base-Base interactions energy: -270.220
where: short stacking energy: -127.903
Base-Backbone interact. energy: -0.001
local terms energy: -136.194103
where:
bonds (distance) C4'-P energy: -24.122
bonds (distance) P-C4' energy: -25.010
flat angles C4'-P-C4' energy: -28.945
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -38.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -384.402609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.402609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.402609 (E_RNA)
where:
Base-Base interactions energy: -254.591
where: short stacking energy: -135.907
Base-Backbone interact. energy: -0.295
local terms energy: -129.516766
where:
bonds (distance) C4'-P energy: -23.901
bonds (distance) P-C4' energy: -25.350
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -20.846
tors. eta vs tors. theta energy: -38.427
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: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -393.763069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.763069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.763069 (E_RNA)
where:
Base-Base interactions energy: -256.231
where: short stacking energy: -132.880
Base-Backbone interact. energy: -0.042
local terms energy: -137.490126
where:
bonds (distance) C4'-P energy: -25.532
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -26.467
flat angles P-C4'-P energy: -23.476
tors. eta vs tors. theta energy: -41.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -326.568028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.568028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.568028 (E_RNA)
where:
Base-Base interactions energy: -207.248
where: short stacking energy: -122.852
Base-Backbone interact. energy: -0.398
local terms energy: -118.921936
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -24.235
flat angles C4'-P-C4' energy: -23.781
flat angles P-C4'-P energy: -19.885
tors. eta vs tors. theta energy: -26.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -251.548213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.548213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.548213 (E_RNA)
where:
Base-Base interactions energy: -148.878
where: short stacking energy: -87.754
Base-Backbone interact. energy: -0.140
local terms energy: -102.530683
where:
bonds (distance) C4'-P energy: -24.013
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -23.015
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -17.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -282.193458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.193458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.193458 (E_RNA)
where:
Base-Base interactions energy: -173.014
where: short stacking energy: -91.089
Base-Backbone interact. energy: -0.104
local terms energy: -109.075493
where:
bonds (distance) C4'-P energy: -23.234
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -24.270
flat angles P-C4'-P energy: -17.656
tors. eta vs tors. theta energy: -25.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -168.151773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.151773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.151773 (E_RNA)
where:
Base-Base interactions energy: -80.593
where: short stacking energy: -68.088
Base-Backbone interact. energy: 3.131
local terms energy: -90.689352
where:
bonds (distance) C4'-P energy: -26.537
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -8.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -152.415742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.415742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.415742 (E_RNA)
where:
Base-Base interactions energy: -67.174
where: short stacking energy: -66.055
Base-Backbone interact. energy: -0.094
local terms energy: -85.148215
where:
bonds (distance) C4'-P energy: -23.913
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -7.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -132.709357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.709357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.709357 (E_RNA)
where:
Base-Base interactions energy: -48.360
where: short stacking energy: -44.842
Base-Backbone interact. energy: -1.076
local terms energy: -83.273290
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -27.676
flat angles C4'-P-C4' energy: -22.670
flat angles P-C4'-P energy: -14.004
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: 10, replica: 3
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -129.345787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.345787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.345787 (E_RNA)
where:
Base-Base interactions energy: -54.526
where: short stacking energy: -51.862
Base-Backbone interact. energy: 0.119
local terms energy: -74.938821
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -27.421
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -1.509
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -418.305019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.305019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.305019 (E_RNA)
where:
Base-Base interactions energy: -284.105
where: short stacking energy: -141.029
Base-Backbone interact. energy: -0.814
local terms energy: -133.385587
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -28.927
flat angles C4'-P-C4' energy: -24.075
flat angles P-C4'-P energy: -20.004
tors. eta vs tors. theta energy: -37.854
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: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -408.304397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.304397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.304397 (E_RNA)
where:
Base-Base interactions energy: -263.038
where: short stacking energy: -137.351
Base-Backbone interact. energy: -0.294
local terms energy: -144.972699
where:
bonds (distance) C4'-P energy: -26.819
bonds (distance) P-C4' energy: -28.981
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: -38.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -396.344826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.344826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.344826 (E_RNA)
where:
Base-Base interactions energy: -261.256
where: short stacking energy: -132.724
Base-Backbone interact. energy: 1.437
local terms energy: -136.525395
where:
bonds (distance) C4'-P energy: -27.068
bonds (distance) P-C4' energy: -30.393
flat angles C4'-P-C4' energy: -26.308
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -38.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -345.138208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.138208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.138208 (E_RNA)
where:
Base-Base interactions energy: -223.416
where: short stacking energy: -121.861
Base-Backbone interact. energy: 0.157
local terms energy: -121.879589
where:
bonds (distance) C4'-P energy: -24.729
bonds (distance) P-C4' energy: -26.307
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -18.453
tors. eta vs tors. theta energy: -31.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -266.617835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.617835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.617835 (E_RNA)
where:
Base-Base interactions energy: -159.936
where: short stacking energy: -92.302
Base-Backbone interact. energy: -0.270
local terms energy: -106.411274
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -26.663
flat angles C4'-P-C4' energy: -27.487
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -13.703
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: 7
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -246.566084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.566084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.566084 (E_RNA)
where:
Base-Base interactions energy: -138.768
where: short stacking energy: -73.666
Base-Backbone interact. energy: -0.965
local terms energy: -106.833701
where:
bonds (distance) C4'-P energy: -27.899
bonds (distance) P-C4' energy: -26.648
flat angles C4'-P-C4' energy: -22.697
flat angles P-C4'-P energy: -15.473
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: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -148.713574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.713574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.713574 (E_RNA)
where:
Base-Base interactions energy: -64.431
where: short stacking energy: -58.298
Base-Backbone interact. energy: -0.351
local terms energy: -83.931979
where:
bonds (distance) C4'-P energy: -23.668
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -25.353
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -6.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -143.161214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.161214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.161214 (E_RNA)
where:
Base-Base interactions energy: -60.873
where: short stacking energy: -46.850
Base-Backbone interact. energy: -1.073
local terms energy: -81.214895
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -28.164
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: 2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -136.384400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.384400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.384400 (E_RNA)
where:
Base-Base interactions energy: -43.821
where: short stacking energy: -30.750
Base-Backbone interact. energy: 0.108
local terms energy: -92.671540
where:
bonds (distance) C4'-P energy: -31.461
bonds (distance) P-C4' energy: -21.818
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -2.127
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: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -129.384461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.384461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.384461 (E_RNA)
where:
Base-Base interactions energy: -47.152
where: short stacking energy: -43.566
Base-Backbone interact. energy: -0.750
local terms energy: -81.482890
where:
bonds (distance) C4'-P energy: -22.219
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -412.912549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.912549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.912549 (E_RNA)
where:
Base-Base interactions energy: -285.901
where: short stacking energy: -132.130
Base-Backbone interact. energy: -0.975
local terms energy: -126.036819
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -26.165
flat angles C4'-P-C4' energy: -25.004
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -35.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -409.949711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.949711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.949711 (E_RNA)
where:
Base-Base interactions energy: -271.564
where: short stacking energy: -140.326
Base-Backbone interact. energy: -0.126
local terms energy: -138.259816
where:
bonds (distance) C4'-P energy: -25.038
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -30.762
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -40.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -391.639262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.639262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.639262 (E_RNA)
where:
Base-Base interactions energy: -256.468
where: short stacking energy: -123.361
Base-Backbone interact. energy: -0.004
local terms energy: -135.167156
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -25.321
flat angles C4'-P-C4' energy: -27.335
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: -37.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -351.857176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.857176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.857176 (E_RNA)
where:
Base-Base interactions energy: -227.890
where: short stacking energy: -120.797
Base-Backbone interact. energy: -0.091
local terms energy: -123.876180
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -35.428
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: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -269.784353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.784353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.784353 (E_RNA)
where:
Base-Base interactions energy: -161.307
where: short stacking energy: -83.897
Base-Backbone interact. energy: -0.823
local terms energy: -107.654475
where:
bonds (distance) C4'-P energy: -22.877
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -26.262
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: -20.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -240.405885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.405885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.405885 (E_RNA)
where:
Base-Base interactions energy: -149.363
where: short stacking energy: -80.104
Base-Backbone interact. energy: 2.828
local terms energy: -93.871178
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -234.355648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.355648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.355648 (E_RNA)
where:
Base-Base interactions energy: -147.828
where: short stacking energy: -75.514
Base-Backbone interact. energy: 0.226
local terms energy: -86.754003
where:
bonds (distance) C4'-P energy: -19.920
bonds (distance) P-C4' energy: -26.269
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -167.671534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.671534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.671534 (E_RNA)
where:
Base-Base interactions energy: -87.836
where: short stacking energy: -47.109
Base-Backbone interact. energy: -0.239
local terms energy: -79.597208
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -27.467
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -10.444
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: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -128.478097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.478097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.478097 (E_RNA)
where:
Base-Base interactions energy: -54.489
where: short stacking energy: -53.688
Base-Backbone interact. energy: -0.594
local terms energy: -73.395698
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -23.585
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -0.066
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: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -124.410921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.410921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.410921 (E_RNA)
where:
Base-Base interactions energy: -54.555
where: short stacking energy: -54.113
Base-Backbone interact. energy: 4.622
local terms energy: -74.476962
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -19.857
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -11.756
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -405.140210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.140210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.140210 (E_RNA)
where:
Base-Base interactions energy: -268.183
where: short stacking energy: -141.853
Base-Backbone interact. energy: -0.534
local terms energy: -136.423642
where:
bonds (distance) C4'-P energy: -21.012
bonds (distance) P-C4' energy: -26.375
flat angles C4'-P-C4' energy: -30.831
flat angles P-C4'-P energy: -18.339
tors. eta vs tors. theta energy: -39.867
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: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -400.482374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.482374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.482374 (E_RNA)
where:
Base-Base interactions energy: -263.919
where: short stacking energy: -125.678
Base-Backbone interact. energy: -0.131
local terms energy: -136.431817
where:
bonds (distance) C4'-P energy: -24.579
bonds (distance) P-C4' energy: -26.945
flat angles C4'-P-C4' energy: -28.424
flat angles P-C4'-P energy: -20.693
tors. eta vs tors. theta energy: -35.791
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: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -386.014162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.014162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.014162 (E_RNA)
where:
Base-Base interactions energy: -254.683
where: short stacking energy: -119.620
Base-Backbone interact. energy: -0.391
local terms energy: -130.940347
where:
bonds (distance) C4'-P energy: -27.080
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -25.839
flat angles P-C4'-P energy: -19.875
tors. eta vs tors. theta energy: -37.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -346.502872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.502872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.502872 (E_RNA)
where:
Base-Base interactions energy: -213.801
where: short stacking energy: -114.609
Base-Backbone interact. energy: -0.934
local terms energy: -131.767660
where:
bonds (distance) C4'-P energy: -26.246
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -26.731
flat angles P-C4'-P energy: -18.203
tors. eta vs tors. theta energy: -33.849
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: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -262.902315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.902315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.902315 (E_RNA)
where:
Base-Base interactions energy: -156.003
where: short stacking energy: -92.338
Base-Backbone interact. energy: 0.769
local terms energy: -107.668017
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -26.170
flat angles C4'-P-C4' energy: -25.913
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -20.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -289.716641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.716641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.716641 (E_RNA)
where:
Base-Base interactions energy: -174.368
where: short stacking energy: -103.051
Base-Backbone interact. energy: -1.051
local terms energy: -114.297413
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -25.983
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: -25.300
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: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -241.873512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.873512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.873512 (E_RNA)
where:
Base-Base interactions energy: -143.043
where: short stacking energy: -73.265
Base-Backbone interact. energy: -0.615
local terms energy: -98.215670
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -25.696
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -10.652
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: 3
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -164.800357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.800357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.800357 (E_RNA)
where:
Base-Base interactions energy: -67.275
where: short stacking energy: -67.275
Base-Backbone interact. energy: -0.472
local terms energy: -97.053563
where:
bonds (distance) C4'-P energy: -22.362
bonds (distance) P-C4' energy: -22.444
flat angles C4'-P-C4' energy: -22.290
flat angles P-C4'-P energy: -15.169
tors. eta vs tors. theta energy: -14.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -138.765916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.765916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.765916 (E_RNA)
where:
Base-Base interactions energy: -59.608
where: short stacking energy: -57.985
Base-Backbone interact. energy: -0.079
local terms energy: -79.078769
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -20.384
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -127.480832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.480832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.480832 (E_RNA)
where:
Base-Base interactions energy: -48.375
where: short stacking energy: -47.839
Base-Backbone interact. energy: -0.625
local terms energy: -78.480728
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -20.186
flat angles P-C4'-P energy: -15.832
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -413.364437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.364437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.364437 (E_RNA)
where:
Base-Base interactions energy: -272.026
where: short stacking energy: -128.557
Base-Backbone interact. energy: -1.073
local terms energy: -140.265230
where:
bonds (distance) C4'-P energy: -25.809
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -25.970
flat angles P-C4'-P energy: -25.040
tors. eta vs tors. theta energy: -38.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -397.465353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.465353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.465353 (E_RNA)
where:
Base-Base interactions energy: -266.233
where: short stacking energy: -133.770
Base-Backbone interact. energy: -0.011
local terms energy: -131.222311
where:
bonds (distance) C4'-P energy: -24.866
bonds (distance) P-C4' energy: -25.665
flat angles C4'-P-C4' energy: -23.408
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: -37.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -369.745005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.745005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.745005 (E_RNA)
where:
Base-Base interactions energy: -244.570
where: short stacking energy: -116.669
Base-Backbone interact. energy: 1.499
local terms energy: -126.674821
where:
bonds (distance) C4'-P energy: -24.313
bonds (distance) P-C4' energy: -25.776
flat angles C4'-P-C4' energy: -28.287
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -32.881
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: 141
Temperature: 1.050000
Total energy: -349.713707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.713707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.713707 (E_RNA)
where:
Base-Base interactions energy: -222.094
where: short stacking energy: -104.717
Base-Backbone interact. energy: -0.003
local terms energy: -127.616447
where:
bonds (distance) C4'-P energy: -25.999
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -26.723
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -31.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -290.078183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.078183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.078183 (E_RNA)
where:
Base-Base interactions energy: -183.498
where: short stacking energy: -88.101
Base-Backbone interact. energy: 0.106
local terms energy: -106.686472
where:
bonds (distance) C4'-P energy: -26.009
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -24.272
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -25.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -295.696801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.696801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.696801 (E_RNA)
where:
Base-Base interactions energy: -180.950
where: short stacking energy: -102.828
Base-Backbone interact. energy: -1.428
local terms energy: -113.318328
where:
bonds (distance) C4'-P energy: -22.920
bonds (distance) P-C4' energy: -25.112
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -30.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -245.389539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.389539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.389539 (E_RNA)
where:
Base-Base interactions energy: -150.508
where: short stacking energy: -71.645
Base-Backbone interact. energy: -0.660
local terms energy: -94.221561
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -23.114
flat angles C4'-P-C4' energy: -24.398
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -15.678
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: 3
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -168.518512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.518512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.518512 (E_RNA)
where:
Base-Base interactions energy: -74.084
where: short stacking energy: -71.644
Base-Backbone interact. energy: -1.233
local terms energy: -93.200936
where:
bonds (distance) C4'-P energy: -23.162
bonds (distance) P-C4' energy: -25.783
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -12.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -150.743765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.743765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.743765 (E_RNA)
where:
Base-Base interactions energy: -59.211
where: short stacking energy: -50.486
Base-Backbone interact. energy: -0.331
local terms energy: -91.201605
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -22.244
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -9.383
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: 10, replica: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -119.664744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.664744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.664744 (E_RNA)
where:
Base-Base interactions energy: -53.936
where: short stacking energy: -53.809
Base-Backbone interact. energy: 1.425
local terms energy: -67.153792
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -411.999425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.999425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.999425 (E_RNA)
where:
Base-Base interactions energy: -274.721
where: short stacking energy: -144.135
Base-Backbone interact. energy: -0.997
local terms energy: -136.280745
where:
bonds (distance) C4'-P energy: -24.830
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -22.910
flat angles P-C4'-P energy: -23.236
tors. eta vs tors. theta energy: -42.363
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: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -407.698740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.698740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.698740 (E_RNA)
where:
Base-Base interactions energy: -274.092
where: short stacking energy: -132.692
Base-Backbone interact. energy: 0.194
local terms energy: -133.801022
where:
bonds (distance) C4'-P energy: -23.375
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -27.705
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: -38.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -397.161963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.161963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.161963 (E_RNA)
where:
Base-Base interactions energy: -251.345
where: short stacking energy: -135.908
Base-Backbone interact. energy: -0.571
local terms energy: -145.245900
where:
bonds (distance) C4'-P energy: -25.784
bonds (distance) P-C4' energy: -27.695
flat angles C4'-P-C4' energy: -29.051
flat angles P-C4'-P energy: -23.611
tors. eta vs tors. theta energy: -39.105
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: 4, replica: 1
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -334.352389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.352389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.352389 (E_RNA)
where:
Base-Base interactions energy: -212.103
where: short stacking energy: -112.857
Base-Backbone interact. energy: -1.292
local terms energy: -120.957712
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -28.792
flat angles C4'-P-C4' energy: -23.285
flat angles P-C4'-P energy: -21.815
tors. eta vs tors. theta energy: -26.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -298.906931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.906931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.906931 (E_RNA)
where:
Base-Base interactions energy: -184.092
where: short stacking energy: -110.934
Base-Backbone interact. energy: -0.586
local terms energy: -114.229181
where:
bonds (distance) C4'-P energy: -23.743
bonds (distance) P-C4' energy: -22.462
flat angles C4'-P-C4' energy: -24.013
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -31.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -315.672248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.672248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.672248 (E_RNA)
where:
Base-Base interactions energy: -188.426
where: short stacking energy: -105.097
Base-Backbone interact. energy: 1.146
local terms energy: -128.392695
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -25.769
flat angles C4'-P-C4' energy: -31.498
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -33.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -256.424810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.424810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.424810 (E_RNA)
where:
Base-Base interactions energy: -147.673
where: short stacking energy: -69.369
Base-Backbone interact. energy: -1.685
local terms energy: -107.066992
where:
bonds (distance) C4'-P energy: -28.500
bonds (distance) P-C4' energy: -20.844
flat angles C4'-P-C4' energy: -22.998
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -143.179243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.179243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.179243 (E_RNA)
where:
Base-Base interactions energy: -56.996
where: short stacking energy: -52.828
Base-Backbone interact. energy: 0.195
local terms energy: -86.377962
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -26.667
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -148.172164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.172164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.172164 (E_RNA)
where:
Base-Base interactions energy: -61.291
where: short stacking energy: -56.921
Base-Backbone interact. energy: -0.277
local terms energy: -86.603714
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -13.258
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: 142
Temperature: 1.350000
Total energy: -148.618168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.618168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.618168 (E_RNA)
where:
Base-Base interactions energy: -54.116
where: short stacking energy: -53.089
Base-Backbone interact. energy: -1.374
local terms energy: -93.128681
where:
bonds (distance) C4'-P energy: -26.628
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -416.671631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.671631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.671631 (E_RNA)
where:
Base-Base interactions energy: -274.072
where: short stacking energy: -143.752
Base-Backbone interact. energy: -1.138
local terms energy: -141.461554
where:
bonds (distance) C4'-P energy: -25.917
bonds (distance) P-C4' energy: -27.041
flat angles C4'-P-C4' energy: -28.906
flat angles P-C4'-P energy: -19.816
tors. eta vs tors. theta energy: -39.781
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: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -411.154088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.154088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.154088 (E_RNA)
where:
Base-Base interactions energy: -273.826
where: short stacking energy: -129.668
Base-Backbone interact. energy: 0.822
local terms energy: -138.149896
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -28.137
flat angles C4'-P-C4' energy: -24.768
flat angles P-C4'-P energy: -20.563
tors. eta vs tors. theta energy: -39.013
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: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -392.769363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.769363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.769363 (E_RNA)
where:
Base-Base interactions energy: -257.434
where: short stacking energy: -125.608
Base-Backbone interact. energy: -1.275
local terms energy: -134.060300
where:
bonds (distance) C4'-P energy: -27.115
bonds (distance) P-C4' energy: -26.065
flat angles C4'-P-C4' energy: -20.302
flat angles P-C4'-P energy: -22.285
tors. eta vs tors. theta energy: -38.294
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: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -347.329755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.329755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.329755 (E_RNA)
where:
Base-Base interactions energy: -222.176
where: short stacking energy: -121.730
Base-Backbone interact. energy: -0.647
local terms energy: -124.506303
where:
bonds (distance) C4'-P energy: -26.174
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -27.830
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -37.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -288.102478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.102478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.102478 (E_RNA)
where:
Base-Base interactions energy: -175.800
where: short stacking energy: -99.778
Base-Backbone interact. energy: -1.051
local terms energy: -111.252063
where:
bonds (distance) C4'-P energy: -20.321
bonds (distance) P-C4' energy: -28.662
flat angles C4'-P-C4' energy: -21.327
flat angles P-C4'-P energy: -16.133
tors. eta vs tors. theta energy: -24.809
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: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -269.830148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.830148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.830148 (E_RNA)
where:
Base-Base interactions energy: -161.094
where: short stacking energy: -80.565
Base-Backbone interact. energy: -2.120
local terms energy: -106.616805
where:
bonds (distance) C4'-P energy: -26.499
bonds (distance) P-C4' energy: -25.455
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -20.361
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: 7, replica: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -261.251705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.251705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.251705 (E_RNA)
where:
Base-Base interactions energy: -153.592
where: short stacking energy: -87.272
Base-Backbone interact. energy: -0.183
local terms energy: -107.476804
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -23.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -144.382872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.382872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.382872 (E_RNA)
where:
Base-Base interactions energy: -51.076
where: short stacking energy: -48.912
Base-Backbone interact. energy: -0.198
local terms energy: -93.108978
where:
bonds (distance) C4'-P energy: -28.124
bonds (distance) P-C4' energy: -25.542
flat angles C4'-P-C4' energy: -19.688
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -9.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -126.989690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.989690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.989690 (E_RNA)
where:
Base-Base interactions energy: -43.225
where: short stacking energy: -42.549
Base-Backbone interact. energy: -1.522
local terms energy: -82.242699
where:
bonds (distance) C4'-P energy: -22.080
bonds (distance) P-C4' energy: -24.217
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -16.730
tors. eta vs tors. theta energy: -0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -123.575952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.575952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.575952 (E_RNA)
where:
Base-Base interactions energy: -42.984
where: short stacking energy: -41.066
Base-Backbone interact. energy: 0.125
local terms energy: -80.716868
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -25.161
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: 1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -408.595738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.595738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.595738 (E_RNA)
where:
Base-Base interactions energy: -268.426
where: short stacking energy: -129.069
Base-Backbone interact. energy: -0.185
local terms energy: -139.985163
where:
bonds (distance) C4'-P energy: -30.040
bonds (distance) P-C4' energy: -22.519
flat angles C4'-P-C4' energy: -26.635
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -43.836
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: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -412.802271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.802271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.802271 (E_RNA)
where:
Base-Base interactions energy: -280.004
where: short stacking energy: -140.672
Base-Backbone interact. energy: -0.727
local terms energy: -132.070905
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -24.932
flat angles C4'-P-C4' energy: -27.058
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -41.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -386.869654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.869654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.869654 (E_RNA)
where:
Base-Base interactions energy: -245.349
where: short stacking energy: -122.094
Base-Backbone interact. energy: -1.344
local terms energy: -140.176808
where:
bonds (distance) C4'-P energy: -24.845
bonds (distance) P-C4' energy: -27.766
flat angles C4'-P-C4' energy: -32.157
flat angles P-C4'-P energy: -19.221
tors. eta vs tors. theta energy: -36.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -327.183111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.183111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.183111 (E_RNA)
where:
Base-Base interactions energy: -221.435
where: short stacking energy: -115.453
Base-Backbone interact. energy: -0.205
local terms energy: -105.542593
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -31.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -300.392853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.392853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.392853 (E_RNA)
where:
Base-Base interactions energy: -199.543
where: short stacking energy: -98.252
Base-Backbone interact. energy: -0.479
local terms energy: -100.370849
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -21.763
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -18.317
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: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -290.065259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.065259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.065259 (E_RNA)
where:
Base-Base interactions energy: -169.000
where: short stacking energy: -95.219
Base-Backbone interact. energy: -0.869
local terms energy: -120.196590
where:
bonds (distance) C4'-P energy: -27.266
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -23.336
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -27.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -235.935271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.935271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.935271 (E_RNA)
where:
Base-Base interactions energy: -134.570
where: short stacking energy: -67.824
Base-Backbone interact. energy: -1.014
local terms energy: -100.351009
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -18.667
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: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -145.282647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.282647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.282647 (E_RNA)
where:
Base-Base interactions energy: -57.667
where: short stacking energy: -50.703
Base-Backbone interact. energy: -0.199
local terms energy: -87.416282
where:
bonds (distance) C4'-P energy: -25.703
bonds (distance) P-C4' energy: -28.494
flat angles C4'-P-C4' energy: -21.801
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -3.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -129.108968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.108968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.108968 (E_RNA)
where:
Base-Base interactions energy: -52.978
where: short stacking energy: -40.454
Base-Backbone interact. energy: 5.408
local terms energy: -81.539170
where:
bonds (distance) C4'-P energy: -25.433
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -12.695
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: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -142.076671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.076671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.076671 (E_RNA)
where:
Base-Base interactions energy: -52.183
where: short stacking energy: -47.922
Base-Backbone interact. energy: -0.135
local terms energy: -89.758307
where:
bonds (distance) C4'-P energy: -21.969
bonds (distance) P-C4' energy: -27.605
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -11.155
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -418.986298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.986298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.986298 (E_RNA)
where:
Base-Base interactions energy: -271.006
where: short stacking energy: -136.653
Base-Backbone interact. energy: -0.802
local terms energy: -147.178289
where:
bonds (distance) C4'-P energy: -28.310
bonds (distance) P-C4' energy: -29.144
flat angles C4'-P-C4' energy: -29.401
flat angles P-C4'-P energy: -19.124
tors. eta vs tors. theta energy: -41.199
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: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -412.684853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.684853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.684853 (E_RNA)
where:
Base-Base interactions energy: -281.977
where: short stacking energy: -132.182
Base-Backbone interact. energy: 0.074
local terms energy: -130.782239
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -27.113
flat angles C4'-P-C4' energy: -28.226
flat angles P-C4'-P energy: -19.157
tors. eta vs tors. theta energy: -34.036
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: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -375.752176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.752176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.752176 (E_RNA)
where:
Base-Base interactions energy: -243.637
where: short stacking energy: -124.011
Base-Backbone interact. energy: -1.310
local terms energy: -130.805203
where:
bonds (distance) C4'-P energy: -25.920
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -29.151
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -35.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -334.389566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.389566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.389566 (E_RNA)
where:
Base-Base interactions energy: -220.139
where: short stacking energy: -121.647
Base-Backbone interact. energy: 0.791
local terms energy: -115.041312
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -23.061
flat angles C4'-P-C4' energy: -26.364
flat angles P-C4'-P energy: -24.123
tors. eta vs tors. theta energy: -27.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -278.395865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.395865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.395865 (E_RNA)
where:
Base-Base interactions energy: -167.899
where: short stacking energy: -104.381
Base-Backbone interact. energy: -0.105
local terms energy: -110.391516
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -26.106
flat angles C4'-P-C4' energy: -25.489
flat angles P-C4'-P energy: -14.904
tors. eta vs tors. theta energy: -22.253
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: 145
Temperature: 1.150000
Total energy: -240.285711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.285711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.285711 (E_RNA)
where:
Base-Base interactions energy: -136.392
where: short stacking energy: -76.764
Base-Backbone interact. energy: -0.402
local terms energy: -103.491812
where:
bonds (distance) C4'-P energy: -25.809
bonds (distance) P-C4' energy: -24.626
flat angles C4'-P-C4' energy: -27.277
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -9.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -243.947080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.947080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.947080 (E_RNA)
where:
Base-Base interactions energy: -149.378
where: short stacking energy: -92.895
Base-Backbone interact. energy: -0.524
local terms energy: -94.045380
where:
bonds (distance) C4'-P energy: -20.960
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -159.141405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.141405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.141405 (E_RNA)
where:
Base-Base interactions energy: -71.822
where: short stacking energy: -54.225
Base-Backbone interact. energy: -0.152
local terms energy: -87.168074
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -25.302
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -15.416
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: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -136.087916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.087916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.087916 (E_RNA)
where:
Base-Base interactions energy: -61.809
where: short stacking energy: -57.378
Base-Backbone interact. energy: -0.982
local terms energy: -73.296170
where:
bonds (distance) C4'-P energy: -22.717
bonds (distance) P-C4' energy: -24.868
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: 0.937
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -132.854476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.854476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.854476 (E_RNA)
where:
Base-Base interactions energy: -54.380
where: short stacking energy: -49.271
Base-Backbone interact. energy: -0.231
local terms energy: -78.243756
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -23.183
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -425.840490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.840490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.840490 (E_RNA)
where:
Base-Base interactions energy: -280.119
where: short stacking energy: -137.038
Base-Backbone interact. energy: -0.054
local terms energy: -145.667712
where:
bonds (distance) C4'-P energy: -24.844
bonds (distance) P-C4' energy: -27.333
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -22.116
tors. eta vs tors. theta energy: -39.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -417.373091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.373091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.373091 (E_RNA)
where:
Base-Base interactions energy: -283.916
where: short stacking energy: -132.296
Base-Backbone interact. energy: -0.460
local terms energy: -132.997605
where:
bonds (distance) C4'-P energy: -26.940
bonds (distance) P-C4' energy: -27.483
flat angles C4'-P-C4' energy: -23.321
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -39.486
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: 1
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -326.743454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.743454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.743454 (E_RNA)
where:
Base-Base interactions energy: -204.761
where: short stacking energy: -108.298
Base-Backbone interact. energy: -0.138
local terms energy: -121.844302
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -31.774
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -26.843
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: 146
Temperature: 1.050000
Total energy: -374.492017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.492017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.492017 (E_RNA)
where:
Base-Base interactions energy: -254.125
where: short stacking energy: -110.636
Base-Backbone interact. energy: -0.527
local terms energy: -119.839585
where:
bonds (distance) C4'-P energy: -27.130
bonds (distance) P-C4' energy: -24.684
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -33.049
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: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -287.664649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.664649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.664649 (E_RNA)
where:
Base-Base interactions energy: -177.517
where: short stacking energy: -97.681
Base-Backbone interact. energy: -1.541
local terms energy: -108.606572
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -21.890
flat angles C4'-P-C4' energy: -29.074
flat angles P-C4'-P energy: -16.794
tors. eta vs tors. theta energy: -21.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -255.839386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.839386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.839386 (E_RNA)
where:
Base-Base interactions energy: -144.464
where: short stacking energy: -88.974
Base-Backbone interact. energy: -0.130
local terms energy: -111.246017
where:
bonds (distance) C4'-P energy: -24.421
bonds (distance) P-C4' energy: -21.842
flat angles C4'-P-C4' energy: -23.663
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -23.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -249.385873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.385873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.385873 (E_RNA)
where:
Base-Base interactions energy: -147.495
where: short stacking energy: -82.156
Base-Backbone interact. energy: 0.109
local terms energy: -101.999394
where:
bonds (distance) C4'-P energy: -21.060
bonds (distance) P-C4' energy: -24.381
flat angles C4'-P-C4' energy: -24.580
flat angles P-C4'-P energy: -16.035
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: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -134.455333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.455333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.455333 (E_RNA)
where:
Base-Base interactions energy: -58.093
where: short stacking energy: -53.476
Base-Backbone interact. energy: -0.468
local terms energy: -75.893673
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -10.752
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: 9, replica: 8
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -133.025922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.025922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.025922 (E_RNA)
where:
Base-Base interactions energy: -49.359
where: short stacking energy: -47.031
Base-Backbone interact. energy: 0.201
local terms energy: -83.867568
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -27.398
flat angles C4'-P-C4' energy: -24.144
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -1.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -133.872813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.872813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.872813 (E_RNA)
where:
Base-Base interactions energy: -48.892
where: short stacking energy: -44.500
Base-Backbone interact. energy: -1.768
local terms energy: -83.212982
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -22.114
flat angles C4'-P-C4' energy: -26.134
flat angles P-C4'-P energy: -11.379
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -433.582469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.582469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.582469 (E_RNA)
where:
Base-Base interactions energy: -290.414
where: short stacking energy: -137.330
Base-Backbone interact. energy: -0.194
local terms energy: -142.974796
where:
bonds (distance) C4'-P energy: -28.406
bonds (distance) P-C4' energy: -25.645
flat angles C4'-P-C4' energy: -29.262
flat angles P-C4'-P energy: -20.461
tors. eta vs tors. theta energy: -39.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -394.935048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.935048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.935048 (E_RNA)
where:
Base-Base interactions energy: -268.723
where: short stacking energy: -125.902
Base-Backbone interact. energy: -2.113
local terms energy: -124.099108
where:
bonds (distance) C4'-P energy: -25.310
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -23.188
flat angles P-C4'-P energy: -20.712
tors. eta vs tors. theta energy: -39.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -340.300002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.300002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.300002 (E_RNA)
where:
Base-Base interactions energy: -220.440
where: short stacking energy: -126.541
Base-Backbone interact. energy: -0.312
local terms energy: -119.547414
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -24.277
flat angles C4'-P-C4' energy: -25.382
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -33.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -368.918258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.918258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.918258 (E_RNA)
where:
Base-Base interactions energy: -237.322
where: short stacking energy: -114.629
Base-Backbone interact. energy: -1.234
local terms energy: -130.362191
where:
bonds (distance) C4'-P energy: -26.338
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -28.331
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -35.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -265.167616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.167616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.167616 (E_RNA)
where:
Base-Base interactions energy: -153.977
where: short stacking energy: -90.349
Base-Backbone interact. energy: -0.323
local terms energy: -110.867566
where:
bonds (distance) C4'-P energy: -20.142
bonds (distance) P-C4' energy: -24.029
flat angles C4'-P-C4' energy: -24.762
flat angles P-C4'-P energy: -18.349
tors. eta vs tors. theta energy: -23.585
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: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -255.828679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.828679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.828679 (E_RNA)
where:
Base-Base interactions energy: -149.404
where: short stacking energy: -83.312
Base-Backbone interact. energy: -1.064
local terms energy: -105.361277
where:
bonds (distance) C4'-P energy: -25.556
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -23.081
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -20.493
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: 147
Temperature: 1.200000
Total energy: -259.176345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.176345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.176345 (E_RNA)
where:
Base-Base interactions energy: -158.351
where: short stacking energy: -86.760
Base-Backbone interact. energy: -0.466
local terms energy: -100.359775
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -27.692
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -16.196
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -145.929567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.929567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.929567 (E_RNA)
where:
Base-Base interactions energy: -52.545
where: short stacking energy: -50.039
Base-Backbone interact. energy: -0.285
local terms energy: -93.099545
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -23.872
flat angles P-C4'-P energy: -16.018
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: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -139.251479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.251479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.251479 (E_RNA)
where:
Base-Base interactions energy: -50.023
where: short stacking energy: -48.946
Base-Backbone interact. energy: -1.009
local terms energy: -88.219229
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -21.205
flat angles C4'-P-C4' energy: -27.045
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -123.362360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.362360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.362360 (E_RNA)
where:
Base-Base interactions energy: -58.317
where: short stacking energy: -45.535
Base-Backbone interact. energy: -0.673
local terms energy: -64.372826
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -17.110
tors. eta vs tors. theta energy: 7.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -419.561120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.561120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.561120 (E_RNA)
where:
Base-Base interactions energy: -274.571
where: short stacking energy: -143.236
Base-Backbone interact. energy: -0.039
local terms energy: -144.951512
where:
bonds (distance) C4'-P energy: -25.687
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -31.384
flat angles P-C4'-P energy: -22.486
tors. eta vs tors. theta energy: -39.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -419.679669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.679669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.679669 (E_RNA)
where:
Base-Base interactions energy: -269.082
where: short stacking energy: -140.636
Base-Backbone interact. energy: -0.705
local terms energy: -149.892584
where:
bonds (distance) C4'-P energy: -26.736
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -30.853
flat angles P-C4'-P energy: -24.201
tors. eta vs tors. theta energy: -43.080
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: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -387.700365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.700365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.700365 (E_RNA)
where:
Base-Base interactions energy: -254.352
where: short stacking energy: -133.537
Base-Backbone interact. energy: -0.260
local terms energy: -133.088356
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -27.511
flat angles C4'-P-C4' energy: -25.850
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -37.004
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: 4, replica: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -327.530344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.530344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.530344 (E_RNA)
where:
Base-Base interactions energy: -207.704
where: short stacking energy: -111.596
Base-Backbone interact. energy: -0.980
local terms energy: -118.845804
where:
bonds (distance) C4'-P energy: -28.488
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -24.281
flat angles P-C4'-P energy: -19.468
tors. eta vs tors. theta energy: -24.313
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: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -272.541387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.541387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.541387 (E_RNA)
where:
Base-Base interactions energy: -164.536
where: short stacking energy: -101.346
Base-Backbone interact. energy: -0.207
local terms energy: -107.797747
where:
bonds (distance) C4'-P energy: -24.589
bonds (distance) P-C4' energy: -22.985
flat angles C4'-P-C4' energy: -27.059
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -21.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -265.450705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.450705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.450705 (E_RNA)
where:
Base-Base interactions energy: -159.174
where: short stacking energy: -93.938
Base-Backbone interact. energy: 0.892
local terms energy: -107.168662
where:
bonds (distance) C4'-P energy: -26.584
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -27.024
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: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -254.125294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.125294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.125294 (E_RNA)
where:
Base-Base interactions energy: -148.041
where: short stacking energy: -80.196
Base-Backbone interact. energy: -0.865
local terms energy: -105.219261
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -24.643
flat angles P-C4'-P energy: -17.545
tors. eta vs tors. theta energy: -14.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -155.609321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.609321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.609321 (E_RNA)
where:
Base-Base interactions energy: -64.192
where: short stacking energy: -57.246
Base-Backbone interact. energy: -0.237
local terms energy: -91.180033
where:
bonds (distance) C4'-P energy: -23.768
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -129.722940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.722940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.722940 (E_RNA)
where:
Base-Base interactions energy: -53.771
where: short stacking energy: -52.658
Base-Backbone interact. energy: -1.084
local terms energy: -74.868559
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -10.607
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: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -137.482225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.482225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.482225 (E_RNA)
where:
Base-Base interactions energy: -63.648
where: short stacking energy: -63.648
Base-Backbone interact. energy: 0.040
local terms energy: -73.874693
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -8.747
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -405.471558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.471558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.471558 (E_RNA)
where:
Base-Base interactions energy: -261.436
where: short stacking energy: -130.442
Base-Backbone interact. energy: -1.610
local terms energy: -142.425641
where:
bonds (distance) C4'-P energy: -27.937
bonds (distance) P-C4' energy: -29.685
flat angles C4'-P-C4' energy: -29.744
flat angles P-C4'-P energy: -17.859
tors. eta vs tors. theta energy: -37.200
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: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -407.367234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.367234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.367234 (E_RNA)
where:
Base-Base interactions energy: -270.212
where: short stacking energy: -135.990
Base-Backbone interact. energy: -0.191
local terms energy: -136.964458
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -28.350
flat angles P-C4'-P energy: -20.955
tors. eta vs tors. theta energy: -40.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -385.175854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.175854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.175854 (E_RNA)
where:
Base-Base interactions energy: -252.159
where: short stacking energy: -125.091
Base-Backbone interact. energy: -1.001
local terms energy: -132.015950
where:
bonds (distance) C4'-P energy: -25.875
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -27.346
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -34.389
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: 4, replica: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -327.716857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.716857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.716857 (E_RNA)
where:
Base-Base interactions energy: -205.721
where: short stacking energy: -123.115
Base-Backbone interact. energy: -1.966
local terms energy: -120.030250
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -30.336
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -28.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -268.866395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.866395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.866395 (E_RNA)
where:
Base-Base interactions energy: -166.798
where: short stacking energy: -99.916
Base-Backbone interact. energy: 0.232
local terms energy: -102.300358
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -24.812
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -17.510
tors. eta vs tors. theta energy: -21.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -287.443037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.443037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.443037 (E_RNA)
where:
Base-Base interactions energy: -176.505
where: short stacking energy: -106.203
Base-Backbone interact. energy: -0.148
local terms energy: -110.789633
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -24.530
flat angles C4'-P-C4' energy: -21.083
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -29.030
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: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -256.900531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.900531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.900531 (E_RNA)
where:
Base-Base interactions energy: -150.174
where: short stacking energy: -83.384
Base-Backbone interact. energy: -0.007
local terms energy: -106.719796
where:
bonds (distance) C4'-P energy: -21.441
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -23.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -133.252864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.252864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.252864 (E_RNA)
where:
Base-Base interactions energy: -44.651
where: short stacking energy: -40.854
Base-Backbone interact. energy: 0.557
local terms energy: -89.158694
where:
bonds (distance) C4'-P energy: -21.276
bonds (distance) P-C4' energy: -22.465
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -16.490
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -124.722075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.722075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.722075 (E_RNA)
where:
Base-Base interactions energy: -47.817
where: short stacking energy: -44.513
Base-Backbone interact. energy: 0.251
local terms energy: -77.155450
where:
bonds (distance) C4'-P energy: -22.954
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -129.554117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.554117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.554117 (E_RNA)
where:
Base-Base interactions energy: -44.587
where: short stacking energy: -41.618
Base-Backbone interact. energy: -0.580
local terms energy: -84.387707
where:
bonds (distance) C4'-P energy: -23.519
bonds (distance) P-C4' energy: -22.078
flat angles C4'-P-C4' energy: -22.781
flat angles P-C4'-P energy: -12.495
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -404.120196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.120196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.120196 (E_RNA)
where:
Base-Base interactions energy: -269.798
where: short stacking energy: -132.267
Base-Backbone interact. energy: 1.009
local terms energy: -135.331927
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -26.059
flat angles C4'-P-C4' energy: -30.101
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -35.099
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: 150
Temperature: 0.950000
Total energy: -406.697571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.697571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.697571 (E_RNA)
where:
Base-Base interactions energy: -270.132
where: short stacking energy: -130.655
Base-Backbone interact. energy: -0.003
local terms energy: -136.563234
where:
bonds (distance) C4'-P energy: -30.099
bonds (distance) P-C4' energy: -27.096
flat angles C4'-P-C4' energy: -23.475
flat angles P-C4'-P energy: -17.165
tors. eta vs tors. theta energy: -38.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -353.600881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.600881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.600881 (E_RNA)
where:
Base-Base interactions energy: -225.713
where: short stacking energy: -132.593
Base-Backbone interact. energy: -0.036
local terms energy: -127.851873
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -29.323
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -32.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -323.343725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.343725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.343725 (E_RNA)
where:
Base-Base interactions energy: -210.176
where: short stacking energy: -112.145
Base-Backbone interact. energy: -0.190
local terms energy: -112.977149
where:
bonds (distance) C4'-P energy: -22.655
bonds (distance) P-C4' energy: -22.789
flat angles C4'-P-C4' energy: -25.426
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -25.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -307.916754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.916754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.916754 (E_RNA)
where:
Base-Base interactions energy: -189.670
where: short stacking energy: -106.588
Base-Backbone interact. energy: -0.280
local terms energy: -117.966052
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -24.959
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -21.332
tors. eta vs tors. theta energy: -26.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -269.762664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.762664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.762664 (E_RNA)
where:
Base-Base interactions energy: -146.779
where: short stacking energy: -90.027
Base-Backbone interact. energy: -0.052
local terms energy: -122.932063
where:
bonds (distance) C4'-P energy: -26.419
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -29.024
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -26.363
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: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -250.278909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.278909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.278909 (E_RNA)
where:
Base-Base interactions energy: -137.235
where: short stacking energy: -82.697
Base-Backbone interact. energy: -0.148
local terms energy: -112.895750
where:
bonds (distance) C4'-P energy: -27.259
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -23.686
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -21.085
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: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -180.389090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.389090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.389090 (E_RNA)
where:
Base-Base interactions energy: -86.849
where: short stacking energy: -74.908
Base-Backbone interact. energy: -0.159
local terms energy: -93.380423
where:
bonds (distance) C4'-P energy: -21.322
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: -13.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -129.729473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.729473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.729473 (E_RNA)
where:
Base-Base interactions energy: -52.530
where: short stacking energy: -38.367
Base-Backbone interact. energy: -0.119
local terms energy: -77.080161
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -30.838
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: 4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -130.135218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.135218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.135218 (E_RNA)
where:
Base-Base interactions energy: -49.331
where: short stacking energy: -49.331
Base-Backbone interact. energy: 1.496
local terms energy: -82.300467
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -25.375
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -8.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -400.998753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.998753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.998753 (E_RNA)
where:
Base-Base interactions energy: -268.705
where: short stacking energy: -129.480
Base-Backbone interact. energy: -0.436
local terms energy: -131.858253
where:
bonds (distance) C4'-P energy: -23.814
bonds (distance) P-C4' energy: -27.999
flat angles C4'-P-C4' energy: -29.934
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -33.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -410.633891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.633891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.633891 (E_RNA)
where:
Base-Base interactions energy: -271.373
where: short stacking energy: -134.656
Base-Backbone interact. energy: -0.881
local terms energy: -138.379128
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -27.840
flat angles C4'-P-C4' energy: -27.962
flat angles P-C4'-P energy: -20.138
tors. eta vs tors. theta energy: -41.461
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: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -357.597503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.597503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.597503 (E_RNA)
where:
Base-Base interactions energy: -217.399
where: short stacking energy: -122.180
Base-Backbone interact. energy: -2.130
local terms energy: -138.068620
where:
bonds (distance) C4'-P energy: -28.406
bonds (distance) P-C4' energy: -25.551
flat angles C4'-P-C4' energy: -29.954
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -35.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -340.003038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.003038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.003038 (E_RNA)
where:
Base-Base interactions energy: -213.604
where: short stacking energy: -119.896
Base-Backbone interact. energy: 1.287
local terms energy: -127.686467
where:
bonds (distance) C4'-P energy: -26.130
bonds (distance) P-C4' energy: -27.871
flat angles C4'-P-C4' energy: -24.886
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -31.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -295.478514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.478514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.478514 (E_RNA)
where:
Base-Base interactions energy: -185.269
where: short stacking energy: -102.813
Base-Backbone interact. energy: -0.286
local terms energy: -109.923828
where:
bonds (distance) C4'-P energy: -23.963
bonds (distance) P-C4' energy: -23.506
flat angles C4'-P-C4' energy: -24.336
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -24.741
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: 151
Temperature: 1.150000
Total energy: -256.108909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.108909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.108909 (E_RNA)
where:
Base-Base interactions energy: -150.164
where: short stacking energy: -78.713
Base-Backbone interact. energy: -0.148
local terms energy: -105.797145
where:
bonds (distance) C4'-P energy: -22.361
bonds (distance) P-C4' energy: -22.554
flat angles C4'-P-C4' energy: -27.936
flat angles P-C4'-P energy: -16.635
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: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -263.000285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.000285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.000285 (E_RNA)
where:
Base-Base interactions energy: -154.342
where: short stacking energy: -102.166
Base-Backbone interact. energy: 2.349
local terms energy: -111.007446
where:
bonds (distance) C4'-P energy: -25.276
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -23.131
flat angles P-C4'-P energy: -16.799
tors. eta vs tors. theta energy: -26.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -145.782487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.782487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.782487 (E_RNA)
where:
Base-Base interactions energy: -56.737
where: short stacking energy: -52.497
Base-Backbone interact. energy: -0.174
local terms energy: -88.871640
where:
bonds (distance) C4'-P energy: -23.311
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -4.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -139.477848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.477848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.477848 (E_RNA)
where:
Base-Base interactions energy: -62.254
where: short stacking energy: -62.254
Base-Backbone interact. energy: -0.244
local terms energy: -76.980231
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -23.581
flat angles P-C4'-P energy: -4.968
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: 10, replica: 3
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -127.501665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.501665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.501665 (E_RNA)
where:
Base-Base interactions energy: -37.980
where: short stacking energy: -35.691
Base-Backbone interact. energy: -0.380
local terms energy: -89.141710
where:
bonds (distance) C4'-P energy: -26.592
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -25.988
flat angles P-C4'-P energy: -9.408
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -409.650486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.650486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.650486 (E_RNA)
where:
Base-Base interactions energy: -254.690
where: short stacking energy: -136.320
Base-Backbone interact. energy: -0.902
local terms energy: -154.058303
where:
bonds (distance) C4'-P energy: -27.081
bonds (distance) P-C4' energy: -30.747
flat angles C4'-P-C4' energy: -30.204
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -44.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -405.355801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.355801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.355801 (E_RNA)
where:
Base-Base interactions energy: -268.662
where: short stacking energy: -132.664
Base-Backbone interact. energy: -0.349
local terms energy: -136.344976
where:
bonds (distance) C4'-P energy: -22.919
bonds (distance) P-C4' energy: -32.237
flat angles C4'-P-C4' energy: -24.877
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: -34.437
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: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -385.549790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.549790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.549790 (E_RNA)
where:
Base-Base interactions energy: -249.306
where: short stacking energy: -125.103
Base-Backbone interact. energy: -0.701
local terms energy: -135.542791
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -28.655
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -37.925
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: 1
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -329.924162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.924162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.924162 (E_RNA)
where:
Base-Base interactions energy: -195.204
where: short stacking energy: -112.757
Base-Backbone interact. energy: -0.479
local terms energy: -134.240670
where:
bonds (distance) C4'-P energy: -31.265
bonds (distance) P-C4' energy: -27.737
flat angles C4'-P-C4' energy: -25.819
flat angles P-C4'-P energy: -17.234
tors. eta vs tors. theta energy: -32.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -276.319490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.319490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.319490 (E_RNA)
where:
Base-Base interactions energy: -168.479
where: short stacking energy: -87.373
Base-Backbone interact. energy: -0.052
local terms energy: -107.788604
where:
bonds (distance) C4'-P energy: -26.278
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -28.420
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -15.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -276.853074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.853074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.853074 (E_RNA)
where:
Base-Base interactions energy: -170.435
where: short stacking energy: -91.081
Base-Backbone interact. energy: -0.099
local terms energy: -106.319206
where:
bonds (distance) C4'-P energy: -22.857
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -25.474
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -24.773
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: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -252.352561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.352561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.352561 (E_RNA)
where:
Base-Base interactions energy: -149.321
where: short stacking energy: -91.508
Base-Backbone interact. energy: -0.150
local terms energy: -102.881592
where:
bonds (distance) C4'-P energy: -24.004
bonds (distance) P-C4' energy: -24.151
flat angles C4'-P-C4' energy: -20.775
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -147.849189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.849189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.849189 (E_RNA)
where:
Base-Base interactions energy: -59.572
where: short stacking energy: -55.297
Base-Backbone interact. energy: -0.458
local terms energy: -87.818468
where:
bonds (distance) C4'-P energy: -22.274
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -7.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -140.813740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.813740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.813740 (E_RNA)
where:
Base-Base interactions energy: -47.390
where: short stacking energy: -48.290
Base-Backbone interact. energy: 1.395
local terms energy: -94.818650
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -119.608617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.608617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.608617 (E_RNA)
where:
Base-Base interactions energy: -42.228
where: short stacking energy: -39.794
Base-Backbone interact. energy: -0.140
local terms energy: -77.240597
where:
bonds (distance) C4'-P energy: -23.429
bonds (distance) P-C4' energy: -23.198
flat angles C4'-P-C4' energy: -19.621
flat angles P-C4'-P energy: -10.063
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -421.384405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.384405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.384405 (E_RNA)
where:
Base-Base interactions energy: -277.653
where: short stacking energy: -146.822
Base-Backbone interact. energy: -1.419
local terms energy: -142.311624
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -29.239
flat angles C4'-P-C4' energy: -30.603
flat angles P-C4'-P energy: -19.684
tors. eta vs tors. theta energy: -42.467
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: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -391.511016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.511016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.511016 (E_RNA)
where:
Base-Base interactions energy: -251.875
where: short stacking energy: -123.029
Base-Backbone interact. energy: -0.627
local terms energy: -139.008773
where:
bonds (distance) C4'-P energy: -25.132
bonds (distance) P-C4' energy: -26.685
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -20.601
tors. eta vs tors. theta energy: -37.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -400.442480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.442480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.442480 (E_RNA)
where:
Base-Base interactions energy: -259.311
where: short stacking energy: -122.970
Base-Backbone interact. energy: -1.847
local terms energy: -139.284628
where:
bonds (distance) C4'-P energy: -29.630
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -27.600
flat angles P-C4'-P energy: -18.961
tors. eta vs tors. theta energy: -36.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -334.056582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.056582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.056582 (E_RNA)
where:
Base-Base interactions energy: -214.416
where: short stacking energy: -126.473
Base-Backbone interact. energy: -0.176
local terms energy: -119.464294
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -23.581
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -15.564
tors. eta vs tors. theta energy: -33.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -276.033095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.033095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.033095 (E_RNA)
where:
Base-Base interactions energy: -164.649
where: short stacking energy: -95.974
Base-Backbone interact. energy: 0.557
local terms energy: -111.941189
where:
bonds (distance) C4'-P energy: -24.801
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -25.720
flat angles P-C4'-P energy: -16.618
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: 6, replica: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -285.691362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.691362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.691362 (E_RNA)
where:
Base-Base interactions energy: -176.634
where: short stacking energy: -93.207
Base-Backbone interact. energy: -1.673
local terms energy: -107.384810
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -28.844
flat angles P-C4'-P energy: -15.018
tors. eta vs tors. theta energy: -27.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -234.277528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.277528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.277528 (E_RNA)
where:
Base-Base interactions energy: -140.685
where: short stacking energy: -76.333
Base-Backbone interact. energy: 0.618
local terms energy: -94.210118
where:
bonds (distance) C4'-P energy: -8.606
bonds (distance) P-C4' energy: -30.026
flat angles C4'-P-C4' energy: -28.786
flat angles P-C4'-P energy: -16.090
tors. eta vs tors. theta energy: -10.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -146.177750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.177750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.177750 (E_RNA)
where:
Base-Base interactions energy: -54.554
where: short stacking energy: -49.745
Base-Backbone interact. energy: -2.583
local terms energy: -89.040955
where:
bonds (distance) C4'-P energy: -23.019
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -8.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -130.849183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.849183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.849183 (E_RNA)
where:
Base-Base interactions energy: -52.611
where: short stacking energy: -36.738
Base-Backbone interact. energy: -0.634
local terms energy: -77.604170
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -26.135
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -16.815
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: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -128.217078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.217078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.217078 (E_RNA)
where:
Base-Base interactions energy: -50.300
where: short stacking energy: -38.398
Base-Backbone interact. energy: -1.114
local terms energy: -76.802381
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -16.407
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -418.246479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.246479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.246479 (E_RNA)
where:
Base-Base interactions energy: -273.377
where: short stacking energy: -137.418
Base-Backbone interact. energy: -0.437
local terms energy: -144.432025
where:
bonds (distance) C4'-P energy: -27.118
bonds (distance) P-C4' energy: -27.175
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -22.925
tors. eta vs tors. theta energy: -40.795
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: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -378.198719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.198719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.198719 (E_RNA)
where:
Base-Base interactions energy: -235.105
where: short stacking energy: -122.963
Base-Backbone interact. energy: -2.903
local terms energy: -140.191105
where:
bonds (distance) C4'-P energy: -30.148
bonds (distance) P-C4' energy: -25.382
flat angles C4'-P-C4' energy: -28.863
flat angles P-C4'-P energy: -23.754
tors. eta vs tors. theta energy: -32.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -405.363392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.363392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.363392 (E_RNA)
where:
Base-Base interactions energy: -269.313
where: short stacking energy: -130.153
Base-Backbone interact. energy: -0.036
local terms energy: -136.014494
where:
bonds (distance) C4'-P energy: -26.484
bonds (distance) P-C4' energy: -27.158
flat angles C4'-P-C4' energy: -28.755
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -36.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -324.772018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.772018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.772018 (E_RNA)
where:
Base-Base interactions energy: -199.078
where: short stacking energy: -104.498
Base-Backbone interact. energy: -0.031
local terms energy: -125.662410
where:
bonds (distance) C4'-P energy: -27.212
bonds (distance) P-C4' energy: -24.591
flat angles C4'-P-C4' energy: -24.789
flat angles P-C4'-P energy: -19.051
tors. eta vs tors. theta energy: -30.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -303.920289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.920289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.920289 (E_RNA)
where:
Base-Base interactions energy: -188.460
where: short stacking energy: -111.919
Base-Backbone interact. energy: -0.378
local terms energy: -115.082115
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -18.794
tors. eta vs tors. theta energy: -29.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -253.627914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.627914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.627914 (E_RNA)
where:
Base-Base interactions energy: -148.942
where: short stacking energy: -92.779
Base-Backbone interact. energy: -0.191
local terms energy: -104.494433
where:
bonds (distance) C4'-P energy: -29.527
bonds (distance) P-C4' energy: -25.489
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -20.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -178.875713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.875713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.875713 (E_RNA)
where:
Base-Base interactions energy: -84.489
where: short stacking energy: -58.485
Base-Backbone interact. energy: 1.558
local terms energy: -95.944804
where:
bonds (distance) C4'-P energy: -22.985
bonds (distance) P-C4' energy: -26.270
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: -8.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -234.809175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.809175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.809175 (E_RNA)
where:
Base-Base interactions energy: -139.912
where: short stacking energy: -81.879
Base-Backbone interact. energy: -0.448
local terms energy: -94.449045
where:
bonds (distance) C4'-P energy: -27.631
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -25.336
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -11.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -123.895474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.895474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.895474 (E_RNA)
where:
Base-Base interactions energy: -46.850
where: short stacking energy: -44.604
Base-Backbone interact. energy: -0.282
local terms energy: -76.763936
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -22.896
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -12.825
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: 10, replica: 3
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -127.983196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.983196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.983196 (E_RNA)
where:
Base-Base interactions energy: -47.452
where: short stacking energy: -40.397
Base-Backbone interact. energy: 0.052
local terms energy: -80.583074
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -28.436
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -10.808
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -418.439485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.439485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.439485 (E_RNA)
where:
Base-Base interactions energy: -274.181
where: short stacking energy: -144.726
Base-Backbone interact. energy: -0.106
local terms energy: -144.151786
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -25.115
flat angles C4'-P-C4' energy: -32.663
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -43.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -403.977198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.977198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.977198 (E_RNA)
where:
Base-Base interactions energy: -263.666
where: short stacking energy: -122.481
Base-Backbone interact. energy: -0.838
local terms energy: -139.473531
where:
bonds (distance) C4'-P energy: -27.468
bonds (distance) P-C4' energy: -28.001
flat angles C4'-P-C4' energy: -30.412
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -35.559
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: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -341.761942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.761942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.761942 (E_RNA)
where:
Base-Base interactions energy: -219.636
where: short stacking energy: -116.683
Base-Backbone interact. energy: -1.434
local terms energy: -120.692274
where:
bonds (distance) C4'-P energy: -26.264
bonds (distance) P-C4' energy: -24.376
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -29.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -320.469495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.469495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.469495 (E_RNA)
where:
Base-Base interactions energy: -195.244
where: short stacking energy: -111.548
Base-Backbone interact. energy: -0.451
local terms energy: -124.774591
where:
bonds (distance) C4'-P energy: -25.684
bonds (distance) P-C4' energy: -26.714
flat angles C4'-P-C4' energy: -27.879
flat angles P-C4'-P energy: -19.089
tors. eta vs tors. theta energy: -25.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -334.360629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.360629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.360629 (E_RNA)
where:
Base-Base interactions energy: -217.303
where: short stacking energy: -126.029
Base-Backbone interact. energy: -0.037
local terms energy: -117.021024
where:
bonds (distance) C4'-P energy: -24.712
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -25.747
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -32.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -251.631884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.631884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.631884 (E_RNA)
where:
Base-Base interactions energy: -156.161
where: short stacking energy: -89.841
Base-Backbone interact. energy: -0.519
local terms energy: -94.951481
where:
bonds (distance) C4'-P energy: -24.534
bonds (distance) P-C4' energy: -24.579
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -12.544
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: 155
Temperature: 1.200000
Total energy: -152.066775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.066775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.066775 (E_RNA)
where:
Base-Base interactions energy: -62.162
where: short stacking energy: -54.758
Base-Backbone interact. energy: -0.226
local terms energy: -89.679412
where:
bonds (distance) C4'-P energy: -28.069
bonds (distance) P-C4' energy: -22.706
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: 0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -248.835072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.835072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.835072 (E_RNA)
where:
Base-Base interactions energy: -137.755
where: short stacking energy: -78.842
Base-Backbone interact. energy: -0.191
local terms energy: -110.889007
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -25.365
flat angles C4'-P-C4' energy: -31.219
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -140.375469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.375469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.375469 (E_RNA)
where:
Base-Base interactions energy: -53.662
where: short stacking energy: -40.842
Base-Backbone interact. energy: -0.174
local terms energy: -86.539297
where:
bonds (distance) C4'-P energy: -22.817
bonds (distance) P-C4' energy: -27.479
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -20.279
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: 10, replica: 3
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -124.223100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.223100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.223100 (E_RNA)
where:
Base-Base interactions energy: -48.144
where: short stacking energy: -35.211
Base-Backbone interact. energy: -1.127
local terms energy: -74.952076
where:
bonds (distance) C4'-P energy: -24.000
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -6.518
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -418.724215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.724215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.724215 (E_RNA)
where:
Base-Base interactions energy: -276.864
where: short stacking energy: -142.718
Base-Backbone interact. energy: -1.402
local terms energy: -140.458674
where:
bonds (distance) C4'-P energy: -22.610
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -24.321
flat angles P-C4'-P energy: -21.557
tors. eta vs tors. theta energy: -44.569
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: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -396.365629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.365629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.365629 (E_RNA)
where:
Base-Base interactions energy: -255.866
where: short stacking energy: -125.757
Base-Backbone interact. energy: -0.352
local terms energy: -140.147630
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -32.090
flat angles C4'-P-C4' energy: -27.687
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -39.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -363.132489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.132489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.132489 (E_RNA)
where:
Base-Base interactions energy: -233.320
where: short stacking energy: -125.133
Base-Backbone interact. energy: -0.021
local terms energy: -129.791029
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -25.806
flat angles C4'-P-C4' energy: -30.142
flat angles P-C4'-P energy: -18.277
tors. eta vs tors. theta energy: -35.068
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: 10
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -302.852119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.852119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.852119 (E_RNA)
where:
Base-Base interactions energy: -194.856
where: short stacking energy: -106.516
Base-Backbone interact. energy: -3.003
local terms energy: -104.992515
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -26.579
flat angles C4'-P-C4' energy: -25.318
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -24.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -333.299569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.299569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.299569 (E_RNA)
where:
Base-Base interactions energy: -202.066
where: short stacking energy: -105.354
Base-Backbone interact. energy: -0.224
local terms energy: -131.009457
where:
bonds (distance) C4'-P energy: -29.404
bonds (distance) P-C4' energy: -28.731
flat angles C4'-P-C4' energy: -27.365
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -28.798
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: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -252.935918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.935918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.935918 (E_RNA)
where:
Base-Base interactions energy: -160.641
where: short stacking energy: -72.100
Base-Backbone interact. energy: -0.547
local terms energy: -91.748094
where:
bonds (distance) C4'-P energy: -20.062
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -23.990
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -10.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -268.751823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.751823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.751823 (E_RNA)
where:
Base-Base interactions energy: -163.700
where: short stacking energy: -96.079
Base-Backbone interact. energy: -0.139
local terms energy: -104.913654
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -27.177
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: -21.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -221.917193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.917193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.917193 (E_RNA)
where:
Base-Base interactions energy: -133.674
where: short stacking energy: -79.495
Base-Backbone interact. energy: -0.578
local terms energy: -87.665725
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -20.923
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -135.041081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.041081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.041081 (E_RNA)
where:
Base-Base interactions energy: -49.942
where: short stacking energy: -48.695
Base-Backbone interact. energy: -0.174
local terms energy: -84.925238
where:
bonds (distance) C4'-P energy: -23.091
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -4.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -131.726449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.726449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.726449 (E_RNA)
where:
Base-Base interactions energy: -51.628
where: short stacking energy: -48.144
Base-Backbone interact. energy: -0.147
local terms energy: -79.952064
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -16.366
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -408.253874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.253874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.253874 (E_RNA)
where:
Base-Base interactions energy: -267.199
where: short stacking energy: -131.214
Base-Backbone interact. energy: -0.130
local terms energy: -140.925144
where:
bonds (distance) C4'-P energy: -24.552
bonds (distance) P-C4' energy: -21.900
flat angles C4'-P-C4' energy: -31.262
flat angles P-C4'-P energy: -22.538
tors. eta vs tors. theta energy: -40.672
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: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -404.598760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.598760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.598760 (E_RNA)
where:
Base-Base interactions energy: -267.550
where: short stacking energy: -136.239
Base-Backbone interact. energy: -0.497
local terms energy: -136.551588
where:
bonds (distance) C4'-P energy: -22.408
bonds (distance) P-C4' energy: -23.753
flat angles C4'-P-C4' energy: -28.817
flat angles P-C4'-P energy: -25.338
tors. eta vs tors. theta energy: -36.235
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: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -355.455129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.455129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.455129 (E_RNA)
where:
Base-Base interactions energy: -230.960
where: short stacking energy: -134.660
Base-Backbone interact. energy: -0.208
local terms energy: -124.287911
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -26.012
flat angles C4'-P-C4' energy: -22.536
flat angles P-C4'-P energy: -21.796
tors. eta vs tors. theta energy: -37.247
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: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -336.873080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.873080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.873080 (E_RNA)
where:
Base-Base interactions energy: -216.421
where: short stacking energy: -124.353
Base-Backbone interact. energy: 0.182
local terms energy: -120.633765
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -28.498
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -30.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -290.510489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.510489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.510489 (E_RNA)
where:
Base-Base interactions energy: -167.270
where: short stacking energy: -90.645
Base-Backbone interact. energy: -0.124
local terms energy: -123.116475
where:
bonds (distance) C4'-P energy: -27.295
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -19.348
tors. eta vs tors. theta energy: -26.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -291.035951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.035951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.035951 (E_RNA)
where:
Base-Base interactions energy: -189.029
where: short stacking energy: -110.727
Base-Backbone interact. energy: -0.162
local terms energy: -101.844927
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -25.545
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -24.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -245.388808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.388808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.388808 (E_RNA)
where:
Base-Base interactions energy: -146.965
where: short stacking energy: -88.480
Base-Backbone interact. energy: 0.537
local terms energy: -98.960644
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -28.100
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -22.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -220.189272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.189272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.189272 (E_RNA)
where:
Base-Base interactions energy: -117.984
where: short stacking energy: -66.662
Base-Backbone interact. energy: -1.144
local terms energy: -101.061341
where:
bonds (distance) C4'-P energy: -25.359
bonds (distance) P-C4' energy: -26.106
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -17.837
tors. eta vs tors. theta energy: -10.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -141.034551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.034551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.034551 (E_RNA)
where:
Base-Base interactions energy: -55.263
where: short stacking energy: -42.689
Base-Backbone interact. energy: 0.424
local terms energy: -86.195480
where:
bonds (distance) C4'-P energy: -24.327
bonds (distance) P-C4' energy: -24.728
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: 1.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -130.182988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.182988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.182988 (E_RNA)
where:
Base-Base interactions energy: -64.136
where: short stacking energy: -32.100
Base-Backbone interact. energy: -0.231
local terms energy: -65.815659
where:
bonds (distance) C4'-P energy: -22.322
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: 6.444
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -406.709068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.709068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.709068 (E_RNA)
where:
Base-Base interactions energy: -267.236
where: short stacking energy: -130.579
Base-Backbone interact. energy: -1.296
local terms energy: -138.177441
where:
bonds (distance) C4'-P energy: -26.286
bonds (distance) P-C4' energy: -23.763
flat angles C4'-P-C4' energy: -32.077
flat angles P-C4'-P energy: -20.230
tors. eta vs tors. theta energy: -35.821
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: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -411.833389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.833389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.833389 (E_RNA)
where:
Base-Base interactions energy: -266.523
where: short stacking energy: -141.489
Base-Backbone interact. energy: -0.368
local terms energy: -144.942383
where:
bonds (distance) C4'-P energy: -26.182
bonds (distance) P-C4' energy: -27.260
flat angles C4'-P-C4' energy: -28.521
flat angles P-C4'-P energy: -21.117
tors. eta vs tors. theta energy: -41.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -352.097043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.097043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.097043 (E_RNA)
where:
Base-Base interactions energy: -226.290
where: short stacking energy: -125.182
Base-Backbone interact. energy: -0.210
local terms energy: -125.597030
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -21.621
flat angles C4'-P-C4' energy: -28.247
flat angles P-C4'-P energy: -20.037
tors. eta vs tors. theta energy: -36.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -320.581115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.581115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.581115 (E_RNA)
where:
Base-Base interactions energy: -195.726
where: short stacking energy: -98.606
Base-Backbone interact. energy: -0.189
local terms energy: -124.665856
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -24.763
tors. eta vs tors. theta energy: -26.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -301.594304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.594304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.594304 (E_RNA)
where:
Base-Base interactions energy: -176.975
where: short stacking energy: -106.422
Base-Backbone interact. energy: -0.578
local terms energy: -124.041173
where:
bonds (distance) C4'-P energy: -23.838
bonds (distance) P-C4' energy: -28.385
flat angles C4'-P-C4' energy: -27.214
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -27.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -258.631379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.631379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.631379 (E_RNA)
where:
Base-Base interactions energy: -163.249
where: short stacking energy: -85.744
Base-Backbone interact. energy: -1.306
local terms energy: -94.075911
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -24.372
flat angles C4'-P-C4' energy: -22.613
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -249.118162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.118162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.118162 (E_RNA)
where:
Base-Base interactions energy: -156.170
where: short stacking energy: -91.267
Base-Backbone interact. energy: -0.249
local terms energy: -92.698624
where:
bonds (distance) C4'-P energy: -21.789
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -19.835
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -235.403084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.403084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.403084 (E_RNA)
where:
Base-Base interactions energy: -135.658
where: short stacking energy: -68.503
Base-Backbone interact. energy: -0.984
local terms energy: -98.760530
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -21.904
flat angles C4'-P-C4' energy: -25.318
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -134.134721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.134721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.134721 (E_RNA)
where:
Base-Base interactions energy: -50.072
where: short stacking energy: -48.073
Base-Backbone interact. energy: -0.128
local terms energy: -83.934513
where:
bonds (distance) C4'-P energy: -26.024
bonds (distance) P-C4' energy: -19.372
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -8.729
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: 158
Temperature: 1.350000
Total energy: -157.594638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.594638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.594638 (E_RNA)
where:
Base-Base interactions energy: -53.404
where: short stacking energy: -52.611
Base-Backbone interact. energy: -0.726
local terms energy: -103.463919
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -29.056
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -415.190378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.190378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.190378 (E_RNA)
where:
Base-Base interactions energy: -268.871
where: short stacking energy: -122.281
Base-Backbone interact. energy: -1.150
local terms energy: -145.169507
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -30.270
flat angles C4'-P-C4' energy: -28.299
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: -40.850
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: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -403.182798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.182798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.182798 (E_RNA)
where:
Base-Base interactions energy: -257.365
where: short stacking energy: -137.156
Base-Backbone interact. energy: 0.045
local terms energy: -145.862715
where:
bonds (distance) C4'-P energy: -22.762
bonds (distance) P-C4' energy: -26.278
flat angles C4'-P-C4' energy: -28.847
flat angles P-C4'-P energy: -23.105
tors. eta vs tors. theta energy: -44.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -348.525178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.525178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.525178 (E_RNA)
where:
Base-Base interactions energy: -222.942
where: short stacking energy: -129.513
Base-Backbone interact. energy: 0.294
local terms energy: -125.876958
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -25.535
flat angles C4'-P-C4' energy: -23.313
flat angles P-C4'-P energy: -19.323
tors. eta vs tors. theta energy: -38.385
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: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -276.864576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.864576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.864576 (E_RNA)
where:
Base-Base interactions energy: -150.203
where: short stacking energy: -86.313
Base-Backbone interact. energy: -1.478
local terms energy: -125.183691
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -27.441
flat angles C4'-P-C4' energy: -30.985
flat angles P-C4'-P energy: -21.581
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -305.479720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.479720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.479720 (E_RNA)
where:
Base-Base interactions energy: -188.356
where: short stacking energy: -104.386
Base-Backbone interact. energy: -0.658
local terms energy: -116.465810
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -22.800
flat angles C4'-P-C4' energy: -28.972
flat angles P-C4'-P energy: -17.643
tors. eta vs tors. theta energy: -25.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -269.314925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.314925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.314925 (E_RNA)
where:
Base-Base interactions energy: -159.046
where: short stacking energy: -97.597
Base-Backbone interact. energy: 1.326
local terms energy: -111.594903
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -27.934
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -25.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -262.604808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.604808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.604808 (E_RNA)
where:
Base-Base interactions energy: -142.839
where: short stacking energy: -77.671
Base-Backbone interact. energy: -0.446
local terms energy: -119.319696
where:
bonds (distance) C4'-P energy: -27.818
bonds (distance) P-C4' energy: -24.541
flat angles C4'-P-C4' energy: -28.003
flat angles P-C4'-P energy: -19.977
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -232.938463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.938463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.938463 (E_RNA)
where:
Base-Base interactions energy: -136.035
where: short stacking energy: -72.526
Base-Backbone interact. energy: -0.812
local terms energy: -96.092080
where:
bonds (distance) C4'-P energy: -25.093
bonds (distance) P-C4' energy: -23.513
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -13.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -151.162612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.162612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.162612 (E_RNA)
where:
Base-Base interactions energy: -60.298
where: short stacking energy: -58.436
Base-Backbone interact. energy: -1.352
local terms energy: -89.512792
where:
bonds (distance) C4'-P energy: -25.828
bonds (distance) P-C4' energy: -25.475
flat angles C4'-P-C4' energy: -24.791
flat angles P-C4'-P energy: -3.182
tors. eta vs tors. theta energy: -10.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -141.588438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.588438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.588438 (E_RNA)
where:
Base-Base interactions energy: -65.817
where: short stacking energy: -50.952
Base-Backbone interact. energy: 5.128
local terms energy: -80.899429
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -24.766
flat angles C4'-P-C4' energy: -23.526
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -418.296283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.296283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.296283 (E_RNA)
where:
Base-Base interactions energy: -268.808
where: short stacking energy: -137.240
Base-Backbone interact. energy: -0.229
local terms energy: -149.258997
where:
bonds (distance) C4'-P energy: -27.757
bonds (distance) P-C4' energy: -27.027
flat angles C4'-P-C4' energy: -26.205
flat angles P-C4'-P energy: -24.604
tors. eta vs tors. theta energy: -43.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -410.983505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.983505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.983505 (E_RNA)
where:
Base-Base interactions energy: -278.189
where: short stacking energy: -141.627
Base-Backbone interact. energy: -1.141
local terms energy: -131.653619
where:
bonds (distance) C4'-P energy: -24.949
bonds (distance) P-C4' energy: -29.527
flat angles C4'-P-C4' energy: -28.657
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -34.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -356.543310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.543310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.543310 (E_RNA)
where:
Base-Base interactions energy: -223.344
where: short stacking energy: -127.619
Base-Backbone interact. energy: -0.355
local terms energy: -132.844572
where:
bonds (distance) C4'-P energy: -25.756
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -20.364
tors. eta vs tors. theta energy: -39.321
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: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -317.536987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.536987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.536987 (E_RNA)
where:
Base-Base interactions energy: -199.963
where: short stacking energy: -121.303
Base-Backbone interact. energy: -0.023
local terms energy: -117.551454
where:
bonds (distance) C4'-P energy: -19.281
bonds (distance) P-C4' energy: -27.041
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -29.851
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: 160
Temperature: 1.100000
Total energy: -304.245772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.245772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.245772 (E_RNA)
where:
Base-Base interactions energy: -193.846
where: short stacking energy: -101.035
Base-Backbone interact. energy: -0.288
local terms energy: -110.110969
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: -22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -296.171609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.171609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.171609 (E_RNA)
where:
Base-Base interactions energy: -181.988
where: short stacking energy: -104.518
Base-Backbone interact. energy: -2.739
local terms energy: -111.444749
where:
bonds (distance) C4'-P energy: -25.858
bonds (distance) P-C4' energy: -26.879
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -24.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -254.037787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.037787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.037787 (E_RNA)
where:
Base-Base interactions energy: -147.992
where: short stacking energy: -88.785
Base-Backbone interact. energy: -0.684
local terms energy: -105.361096
where:
bonds (distance) C4'-P energy: -25.045
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -23.210
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: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -236.262925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.262925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.262925 (E_RNA)
where:
Base-Base interactions energy: -139.046
where: short stacking energy: -75.929
Base-Backbone interact. energy: -0.188
local terms energy: -97.029466
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -15.323
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -139.700993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.700993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.700993 (E_RNA)
where:
Base-Base interactions energy: -56.028
where: short stacking energy: -56.007
Base-Backbone interact. energy: 1.185
local terms energy: -84.858374
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -26.630
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -122.593385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.593385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.593385 (E_RNA)
where:
Base-Base interactions energy: -53.009
where: short stacking energy: -44.875
Base-Backbone interact. energy: -0.190
local terms energy: -69.393914
where:
bonds (distance) C4'-P energy: -23.776
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -0.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -419.777091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.777091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.777091 (E_RNA)
where:
Base-Base interactions energy: -272.508
where: short stacking energy: -139.819
Base-Backbone interact. energy: -0.714
local terms energy: -146.555950
where:
bonds (distance) C4'-P energy: -28.795
bonds (distance) P-C4' energy: -25.198
flat angles C4'-P-C4' energy: -29.167
flat angles P-C4'-P energy: -20.899
tors. eta vs tors. theta energy: -42.496
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: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -368.803021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.803021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.803021 (E_RNA)
where:
Base-Base interactions energy: -236.918
where: short stacking energy: -131.989
Base-Backbone interact. energy: -0.510
local terms energy: -131.374673
where:
bonds (distance) C4'-P energy: -23.498
bonds (distance) P-C4' energy: -27.802
flat angles C4'-P-C4' energy: -26.593
flat angles P-C4'-P energy: -21.207
tors. eta vs tors. theta energy: -32.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -380.136546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.136546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.136546 (E_RNA)
where:
Base-Base interactions energy: -248.895
where: short stacking energy: -125.711
Base-Backbone interact. energy: -0.352
local terms energy: -130.889613
where:
bonds (distance) C4'-P energy: -26.793
bonds (distance) P-C4' energy: -30.333
flat angles C4'-P-C4' energy: -27.385
flat angles P-C4'-P energy: -17.770
tors. eta vs tors. theta energy: -28.609
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: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -324.575021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.575021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.575021 (E_RNA)
where:
Base-Base interactions energy: -195.653
where: short stacking energy: -97.415
Base-Backbone interact. energy: -0.412
local terms energy: -128.510175
where:
bonds (distance) C4'-P energy: -23.170
bonds (distance) P-C4' energy: -30.240
flat angles C4'-P-C4' energy: -27.616
flat angles P-C4'-P energy: -20.422
tors. eta vs tors. theta energy: -27.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -293.181281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.181281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.181281 (E_RNA)
where:
Base-Base interactions energy: -177.308
where: short stacking energy: -93.768
Base-Backbone interact. energy: -0.883
local terms energy: -114.990589
where:
bonds (distance) C4'-P energy: -28.369
bonds (distance) P-C4' energy: -25.430
flat angles C4'-P-C4' energy: -24.285
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -23.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -288.225830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.225830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.225830 (E_RNA)
where:
Base-Base interactions energy: -179.124
where: short stacking energy: -100.169
Base-Backbone interact. energy: -0.380
local terms energy: -108.721644
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -26.795
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: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -239.908293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.908293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.908293 (E_RNA)
where:
Base-Base interactions energy: -139.753
where: short stacking energy: -88.534
Base-Backbone interact. energy: 2.905
local terms energy: -103.059991
where:
bonds (distance) C4'-P energy: -23.021
bonds (distance) P-C4' energy: -25.531
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -22.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -237.895038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.895038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.895038 (E_RNA)
where:
Base-Base interactions energy: -135.675
where: short stacking energy: -79.932
Base-Backbone interact. energy: 0.344
local terms energy: -102.563951
where:
bonds (distance) C4'-P energy: -27.228
bonds (distance) P-C4' energy: -26.962
flat angles C4'-P-C4' energy: -25.120
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -139.814971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.814971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.814971 (E_RNA)
where:
Base-Base interactions energy: -52.731
where: short stacking energy: -46.634
Base-Backbone interact. energy: -1.061
local terms energy: -86.022977
where:
bonds (distance) C4'-P energy: -20.901
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -137.131818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.131818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.131818 (E_RNA)
where:
Base-Base interactions energy: -54.856
where: short stacking energy: -52.548
Base-Backbone interact. energy: -0.511
local terms energy: -81.764797
where:
bonds (distance) C4'-P energy: -21.030
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -23.291
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -380.103356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.103356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.103356 (E_RNA)
where:
Base-Base interactions energy: -244.036
where: short stacking energy: -135.402
Base-Backbone interact. energy: -0.728
local terms energy: -135.339575
where:
bonds (distance) C4'-P energy: -24.734
bonds (distance) P-C4' energy: -24.677
flat angles C4'-P-C4' energy: -25.250
flat angles P-C4'-P energy: -21.143
tors. eta vs tors. theta energy: -39.536
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: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -413.354118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.354118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.354118 (E_RNA)
where:
Base-Base interactions energy: -273.074
where: short stacking energy: -138.716
Base-Backbone interact. energy: -0.490
local terms energy: -139.789990
where:
bonds (distance) C4'-P energy: -24.368
bonds (distance) P-C4' energy: -25.093
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -17.053
tors. eta vs tors. theta energy: -44.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -389.831565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.831565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.831565 (E_RNA)
where:
Base-Base interactions energy: -252.137
where: short stacking energy: -126.048
Base-Backbone interact. energy: -0.355
local terms energy: -137.339847
where:
bonds (distance) C4'-P energy: -26.319
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -20.523
tors. eta vs tors. theta energy: -39.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -327.186462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.186462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.186462 (E_RNA)
where:
Base-Base interactions energy: -209.219
where: short stacking energy: -119.013
Base-Backbone interact. energy: -0.357
local terms energy: -117.611030
where:
bonds (distance) C4'-P energy: -25.967
bonds (distance) P-C4' energy: -25.066
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -16.250
tors. eta vs tors. theta energy: -27.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -295.660131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.660131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.660131 (E_RNA)
where:
Base-Base interactions energy: -183.045
where: short stacking energy: -97.488
Base-Backbone interact. energy: -0.788
local terms energy: -111.827694
where:
bonds (distance) C4'-P energy: -23.946
bonds (distance) P-C4' energy: -27.244
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -21.464
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: 10
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -277.103790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.103790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.103790 (E_RNA)
where:
Base-Base interactions energy: -174.105
where: short stacking energy: -104.177
Base-Backbone interact. energy: 0.962
local terms energy: -103.960870
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -23.710
flat angles P-C4'-P energy: -18.761
tors. eta vs tors. theta energy: -23.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -256.252755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.252755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.252755 (E_RNA)
where:
Base-Base interactions energy: -146.041
where: short stacking energy: -84.071
Base-Backbone interact. energy: -0.405
local terms energy: -109.806967
where:
bonds (distance) C4'-P energy: -25.699
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -28.844
flat angles P-C4'-P energy: -17.004
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: 8, replica: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -235.027354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.027354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.027354 (E_RNA)
where:
Base-Base interactions energy: -144.369
where: short stacking energy: -81.465
Base-Backbone interact. energy: -0.423
local terms energy: -90.235475
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -24.034
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -12.753
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: 9, replica: 3
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -133.405523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.405523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.405523 (E_RNA)
where:
Base-Base interactions energy: -49.896
where: short stacking energy: -41.418
Base-Backbone interact. energy: -0.813
local terms energy: -82.697271
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -25.944
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -4.219
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: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -148.976158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.976158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.976158 (E_RNA)
where:
Base-Base interactions energy: -60.930
where: short stacking energy: -56.773
Base-Backbone interact. energy: 0.178
local terms energy: -88.224063
where:
bonds (distance) C4'-P energy: -26.496
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -26.051
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -11.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -375.199313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.199313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.199313 (E_RNA)
where:
Base-Base interactions energy: -236.348
where: short stacking energy: -135.514
Base-Backbone interact. energy: -0.524
local terms energy: -138.327442
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -31.144
flat angles C4'-P-C4' energy: -30.015
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -39.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -407.391872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.391872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.391872 (E_RNA)
where:
Base-Base interactions energy: -268.460
where: short stacking energy: -135.998
Base-Backbone interact. energy: -0.280
local terms energy: -138.652478
where:
bonds (distance) C4'-P energy: -22.698
bonds (distance) P-C4' energy: -26.990
flat angles C4'-P-C4' energy: -28.464
flat angles P-C4'-P energy: -18.348
tors. eta vs tors. theta energy: -42.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -380.879527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.879527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.879527 (E_RNA)
where:
Base-Base interactions energy: -255.462
where: short stacking energy: -122.651
Base-Backbone interact. energy: -0.078
local terms energy: -125.339897
where:
bonds (distance) C4'-P energy: -29.291
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: -36.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -339.301918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.301918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.301918 (E_RNA)
where:
Base-Base interactions energy: -203.482
where: short stacking energy: -105.618
Base-Backbone interact. energy: -0.972
local terms energy: -134.847665
where:
bonds (distance) C4'-P energy: -23.942
bonds (distance) P-C4' energy: -28.679
flat angles C4'-P-C4' energy: -29.795
flat angles P-C4'-P energy: -19.261
tors. eta vs tors. theta energy: -33.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -274.914940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.914940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.914940 (E_RNA)
where:
Base-Base interactions energy: -172.531
where: short stacking energy: -90.164
Base-Backbone interact. energy: -0.262
local terms energy: -102.121770
where:
bonds (distance) C4'-P energy: -22.716
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -22.373
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -24.510
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: 163
Temperature: 1.150000
Total energy: -285.246394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.246394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.246394 (E_RNA)
where:
Base-Base interactions energy: -181.296
where: short stacking energy: -101.947
Base-Backbone interact. energy: -0.186
local terms energy: -103.764172
where:
bonds (distance) C4'-P energy: -23.090
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -27.317
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -18.434
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: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -235.756291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.756291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.756291 (E_RNA)
where:
Base-Base interactions energy: -136.263
where: short stacking energy: -82.554
Base-Backbone interact. energy: -0.440
local terms energy: -99.052477
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -23.864
flat angles P-C4'-P energy: -20.833
tors. eta vs tors. theta energy: -15.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -218.738638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.738638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.738638 (E_RNA)
where:
Base-Base interactions energy: -119.410
where: short stacking energy: -67.214
Base-Backbone interact. energy: -0.086
local terms energy: -99.242640
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -24.872
flat angles C4'-P-C4' energy: -28.082
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -10.572
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: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -135.787164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.787164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.787164 (E_RNA)
where:
Base-Base interactions energy: -51.107
where: short stacking energy: -42.186
Base-Backbone interact. energy: -0.982
local terms energy: -83.698708
where:
bonds (distance) C4'-P energy: -21.103
bonds (distance) P-C4' energy: -28.145
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -3.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -123.991860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.991860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.991860 (E_RNA)
where:
Base-Base interactions energy: -42.830
where: short stacking energy: -42.038
Base-Backbone interact. energy: 0.140
local terms energy: -81.301547
where:
bonds (distance) C4'-P energy: -28.980
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -419.661980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.661980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.661980 (E_RNA)
where:
Base-Base interactions energy: -279.637
where: short stacking energy: -144.164
Base-Backbone interact. energy: -0.903
local terms energy: -139.121812
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -30.997
flat angles P-C4'-P energy: -21.679
tors. eta vs tors. theta energy: -43.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -374.724171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.724171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.724171 (E_RNA)
where:
Base-Base interactions energy: -239.372
where: short stacking energy: -118.609
Base-Backbone interact. energy: -0.282
local terms energy: -135.069638
where:
bonds (distance) C4'-P energy: -27.647
bonds (distance) P-C4' energy: -27.866
flat angles C4'-P-C4' energy: -24.012
flat angles P-C4'-P energy: -22.864
tors. eta vs tors. theta energy: -32.681
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: 4
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -390.842821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.842821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.842821 (E_RNA)
where:
Base-Base interactions energy: -258.283
where: short stacking energy: -131.178
Base-Backbone interact. energy: -0.597
local terms energy: -131.963048
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -23.239
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -19.004
tors. eta vs tors. theta energy: -35.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -338.642362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.642362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.642362 (E_RNA)
where:
Base-Base interactions energy: -214.774
where: short stacking energy: -126.658
Base-Backbone interact. energy: -1.081
local terms energy: -122.787409
where:
bonds (distance) C4'-P energy: -27.876
bonds (distance) P-C4' energy: -25.873
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -32.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -309.673881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.673881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.673881 (E_RNA)
where:
Base-Base interactions energy: -200.598
where: short stacking energy: -101.534
Base-Backbone interact. energy: -0.346
local terms energy: -108.730056
where:
bonds (distance) C4'-P energy: -27.246
bonds (distance) P-C4' energy: -27.087
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -25.726
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: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -290.378837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.378837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.378837 (E_RNA)
where:
Base-Base interactions energy: -185.677
where: short stacking energy: -106.880
Base-Backbone interact. energy: -0.016
local terms energy: -104.686073
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -28.974
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -24.600
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: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -255.640197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.640197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.640197 (E_RNA)
where:
Base-Base interactions energy: -154.789
where: short stacking energy: -88.160
Base-Backbone interact. energy: -0.358
local terms energy: -100.492533
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -20.174
flat angles C4'-P-C4' energy: -23.754
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -209.072016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.072016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.072016 (E_RNA)
where:
Base-Base interactions energy: -122.734
where: short stacking energy: -69.438
Base-Backbone interact. energy: -0.283
local terms energy: -86.055733
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -134.135560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.135560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.135560 (E_RNA)
where:
Base-Base interactions energy: -48.537
where: short stacking energy: -43.583
Base-Backbone interact. energy: 3.739
local terms energy: -89.336862
where:
bonds (distance) C4'-P energy: -28.716
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -4.855
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: 10, replica: 3
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -115.407069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.407069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.407069 (E_RNA)
where:
Base-Base interactions energy: -28.132
where: short stacking energy: -28.132
Base-Backbone interact. energy: -0.325
local terms energy: -86.950613
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -29.787
flat angles C4'-P-C4' energy: -24.971
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: 5.206
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -416.275553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.275553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.275553 (E_RNA)
where:
Base-Base interactions energy: -268.686
where: short stacking energy: -135.281
Base-Backbone interact. energy: -0.036
local terms energy: -147.553443
where:
bonds (distance) C4'-P energy: -23.574
bonds (distance) P-C4' energy: -29.326
flat angles C4'-P-C4' energy: -31.337
flat angles P-C4'-P energy: -21.498
tors. eta vs tors. theta energy: -41.819
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: 2, replica: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -402.605861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.605861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.605861 (E_RNA)
where:
Base-Base interactions energy: -263.298
where: short stacking energy: -127.171
Base-Backbone interact. energy: -0.830
local terms energy: -138.478077
where:
bonds (distance) C4'-P energy: -26.944
bonds (distance) P-C4' energy: -26.569
flat angles C4'-P-C4' energy: -25.291
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: -36.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -373.225937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.225937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.225937 (E_RNA)
where:
Base-Base interactions energy: -238.552
where: short stacking energy: -128.668
Base-Backbone interact. energy: -2.204
local terms energy: -132.469409
where:
bonds (distance) C4'-P energy: -28.696
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -26.105
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -36.705
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: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -330.092957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.092957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.092957 (E_RNA)
where:
Base-Base interactions energy: -211.112
where: short stacking energy: -115.212
Base-Backbone interact. energy: -1.039
local terms energy: -117.941681
where:
bonds (distance) C4'-P energy: -23.405
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -28.790
flat angles P-C4'-P energy: -18.463
tors. eta vs tors. theta energy: -26.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -292.614595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.614595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.614595 (E_RNA)
where:
Base-Base interactions energy: -174.747
where: short stacking energy: -89.114
Base-Backbone interact. energy: -0.242
local terms energy: -117.625809
where:
bonds (distance) C4'-P energy: -21.938
bonds (distance) P-C4' energy: -25.048
flat angles C4'-P-C4' energy: -25.615
flat angles P-C4'-P energy: -19.463
tors. eta vs tors. theta energy: -25.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -266.343170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.343170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.343170 (E_RNA)
where:
Base-Base interactions energy: -152.383
where: short stacking energy: -97.428
Base-Backbone interact. energy: -0.184
local terms energy: -113.776732
where:
bonds (distance) C4'-P energy: -24.200
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -23.222
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -28.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -266.080196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.080196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.080196 (E_RNA)
where:
Base-Base interactions energy: -164.898
where: short stacking energy: -97.806
Base-Backbone interact. energy: 1.531
local terms energy: -102.713939
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -26.199
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: -21.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -218.854462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.854462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.854462 (E_RNA)
where:
Base-Base interactions energy: -123.589
where: short stacking energy: -67.527
Base-Backbone interact. energy: -0.579
local terms energy: -94.686524
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -22.411
flat angles C4'-P-C4' energy: -27.499
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -13.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -143.597686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.597686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.597686 (E_RNA)
where:
Base-Base interactions energy: -62.040
where: short stacking energy: -45.546
Base-Backbone interact. energy: -0.207
local terms energy: -81.350485
where:
bonds (distance) C4'-P energy: -24.420
bonds (distance) P-C4' energy: -22.057
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -128.194168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.194168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.194168 (E_RNA)
where:
Base-Base interactions energy: -51.008
where: short stacking energy: -48.961
Base-Backbone interact. energy: -0.182
local terms energy: -77.004401
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -9.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -419.976486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.976486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.976486 (E_RNA)
where:
Base-Base interactions energy: -274.517
where: short stacking energy: -144.222
Base-Backbone interact. energy: -0.029
local terms energy: -145.430854
where:
bonds (distance) C4'-P energy: -23.046
bonds (distance) P-C4' energy: -26.413
flat angles C4'-P-C4' energy: -28.835
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -44.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -400.730489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.730489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.730489 (E_RNA)
where:
Base-Base interactions energy: -265.283
where: short stacking energy: -130.290
Base-Backbone interact. energy: -0.070
local terms energy: -135.377892
where:
bonds (distance) C4'-P energy: -27.805
bonds (distance) P-C4' energy: -24.723
flat angles C4'-P-C4' energy: -29.219
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -39.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -375.454121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.454121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.454121 (E_RNA)
where:
Base-Base interactions energy: -240.043
where: short stacking energy: -140.294
Base-Backbone interact. energy: -0.252
local terms energy: -135.158839
where:
bonds (distance) C4'-P energy: -26.981
bonds (distance) P-C4' energy: -26.290
flat angles C4'-P-C4' energy: -23.341
flat angles P-C4'-P energy: -22.847
tors. eta vs tors. theta energy: -35.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -319.365380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.365380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.365380 (E_RNA)
where:
Base-Base interactions energy: -200.814
where: short stacking energy: -105.712
Base-Backbone interact. energy: 1.540
local terms energy: -120.091639
where:
bonds (distance) C4'-P energy: -22.311
bonds (distance) P-C4' energy: -25.602
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -20.775
tors. eta vs tors. theta energy: -27.458
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: 5, replica: 8
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -310.643086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.643086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.643086 (E_RNA)
where:
Base-Base interactions energy: -187.762
where: short stacking energy: -114.310
Base-Backbone interact. energy: -0.430
local terms energy: -122.450608
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -27.912
flat angles C4'-P-C4' energy: -27.370
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -36.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -288.848135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.848135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.848135 (E_RNA)
where:
Base-Base interactions energy: -180.182
where: short stacking energy: -103.778
Base-Backbone interact. energy: -0.259
local terms energy: -108.406549
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -25.718
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -25.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -261.105889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.105889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.105889 (E_RNA)
where:
Base-Base interactions energy: -151.249
where: short stacking energy: -96.007
Base-Backbone interact. energy: -0.858
local terms energy: -108.998229
where:
bonds (distance) C4'-P energy: -23.495
bonds (distance) P-C4' energy: -23.813
flat angles C4'-P-C4' energy: -22.522
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -23.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -229.910972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.910972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.910972 (E_RNA)
where:
Base-Base interactions energy: -134.030
where: short stacking energy: -75.412
Base-Backbone interact. energy: -1.331
local terms energy: -94.550234
where:
bonds (distance) C4'-P energy: -23.140
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -12.735
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: 9, replica: 3
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -136.806851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.806851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.806851 (E_RNA)
where:
Base-Base interactions energy: -51.009
where: short stacking energy: -51.009
Base-Backbone interact. energy: -0.165
local terms energy: -85.632978
where:
bonds (distance) C4'-P energy: -21.081
bonds (distance) P-C4' energy: -25.007
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -11.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -138.402506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.402506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.402506 (E_RNA)
where:
Base-Base interactions energy: -49.840
where: short stacking energy: -49.286
Base-Backbone interact. energy: -0.701
local terms energy: -87.861027
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -27.784
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -16.891
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -423.411982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.411982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.411982 (E_RNA)
where:
Base-Base interactions energy: -282.280
where: short stacking energy: -140.857
Base-Backbone interact. energy: -0.241
local terms energy: -140.890382
where:
bonds (distance) C4'-P energy: -23.359
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -29.923
flat angles P-C4'-P energy: -18.663
tors. eta vs tors. theta energy: -43.621
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: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -410.466938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.466938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.466938 (E_RNA)
where:
Base-Base interactions energy: -283.128
where: short stacking energy: -138.448
Base-Backbone interact. energy: -0.142
local terms energy: -127.196367
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -27.750
flat angles C4'-P-C4' energy: -28.408
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -34.013
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: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -365.818977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.818977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.818977 (E_RNA)
where:
Base-Base interactions energy: -235.359
where: short stacking energy: -123.847
Base-Backbone interact. energy: 0.508
local terms energy: -130.967774
where:
bonds (distance) C4'-P energy: -21.517
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -25.856
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -37.653
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: 1
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -317.613044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.613044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.613044 (E_RNA)
where:
Base-Base interactions energy: -201.937
where: short stacking energy: -102.002
Base-Backbone interact. energy: -0.318
local terms energy: -115.358401
where:
bonds (distance) C4'-P energy: -24.697
bonds (distance) P-C4' energy: -23.553
flat angles C4'-P-C4' energy: -26.837
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -25.606
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: 8
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -273.578361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.578361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.578361 (E_RNA)
where:
Base-Base interactions energy: -161.269
where: short stacking energy: -94.247
Base-Backbone interact. energy: -0.170
local terms energy: -112.139207
where:
bonds (distance) C4'-P energy: -23.722
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -28.425
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -25.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -258.206295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.206295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.206295 (E_RNA)
where:
Base-Base interactions energy: -159.168
where: short stacking energy: -82.374
Base-Backbone interact. energy: 1.991
local terms energy: -101.029879
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -25.041
flat angles C4'-P-C4' energy: -26.500
flat angles P-C4'-P energy: -16.821
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -262.572106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.572106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.572106 (E_RNA)
where:
Base-Base interactions energy: -156.852
where: short stacking energy: -92.238
Base-Backbone interact. energy: -0.108
local terms energy: -105.611817
where:
bonds (distance) C4'-P energy: -22.689
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -25.599
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -23.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -235.636366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.636366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.636366 (E_RNA)
where:
Base-Base interactions energy: -125.369
where: short stacking energy: -77.687
Base-Backbone interact. energy: -2.081
local terms energy: -108.186482
where:
bonds (distance) C4'-P energy: -27.059
bonds (distance) P-C4' energy: -25.159
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: -19.212
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: 3
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -129.922794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.922794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.922794 (E_RNA)
where:
Base-Base interactions energy: -45.079
where: short stacking energy: -45.675
Base-Backbone interact. energy: -0.146
local terms energy: -84.697068
where:
bonds (distance) C4'-P energy: -22.761
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -23.415
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -133.778764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.778764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.778764 (E_RNA)
where:
Base-Base interactions energy: -62.375
where: short stacking energy: -51.078
Base-Backbone interact. energy: -0.639
local terms energy: -70.764789
where:
bonds (distance) C4'-P energy: -25.006
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -421.008241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.008241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.008241 (E_RNA)
where:
Base-Base interactions energy: -275.661
where: short stacking energy: -135.163
Base-Backbone interact. energy: -0.244
local terms energy: -145.102680
where:
bonds (distance) C4'-P energy: -28.841
bonds (distance) P-C4' energy: -30.038
flat angles C4'-P-C4' energy: -29.666
flat angles P-C4'-P energy: -16.412
tors. eta vs tors. theta energy: -40.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -417.442378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.442378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.442378 (E_RNA)
where:
Base-Base interactions energy: -273.005
where: short stacking energy: -131.128
Base-Backbone interact. energy: -0.870
local terms energy: -143.567368
where:
bonds (distance) C4'-P energy: -29.663
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -29.711
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -41.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -391.100288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.100288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.100288 (E_RNA)
where:
Base-Base interactions energy: -251.911
where: short stacking energy: -130.818
Base-Backbone interact. energy: -0.852
local terms energy: -138.337614
where:
bonds (distance) C4'-P energy: -24.509
bonds (distance) P-C4' energy: -28.850
flat angles C4'-P-C4' energy: -28.150
flat angles P-C4'-P energy: -19.547
tors. eta vs tors. theta energy: -37.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -330.265702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.265702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.265702 (E_RNA)
where:
Base-Base interactions energy: -210.988
where: short stacking energy: -113.562
Base-Backbone interact. energy: -0.454
local terms energy: -118.823276
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -27.281
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -32.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -297.931801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.931801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.931801 (E_RNA)
where:
Base-Base interactions energy: -174.731
where: short stacking energy: -100.322
Base-Backbone interact. energy: -0.178
local terms energy: -123.022759
where:
bonds (distance) C4'-P energy: -24.302
bonds (distance) P-C4' energy: -25.775
flat angles C4'-P-C4' energy: -26.858
flat angles P-C4'-P energy: -21.065
tors. eta vs tors. theta energy: -25.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -296.465085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.465085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.465085 (E_RNA)
where:
Base-Base interactions energy: -190.539
where: short stacking energy: -95.404
Base-Backbone interact. energy: 0.912
local terms energy: -106.838218
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -21.685
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: -21.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -232.642082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.642082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.642082 (E_RNA)
where:
Base-Base interactions energy: -145.675
where: short stacking energy: -73.503
Base-Backbone interact. energy: 0.580
local terms energy: -87.546913
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -25.645
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -7.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -225.370996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.370996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.370996 (E_RNA)
where:
Base-Base interactions energy: -132.334
where: short stacking energy: -64.217
Base-Backbone interact. energy: -0.296
local terms energy: -92.740957
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -22.421
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -147.272246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.272246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.272246 (E_RNA)
where:
Base-Base interactions energy: -60.648
where: short stacking energy: -57.646
Base-Backbone interact. energy: -0.589
local terms energy: -86.035949
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -26.692
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -8.416
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: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -133.155164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.155164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.155164 (E_RNA)
where:
Base-Base interactions energy: -52.331
where: short stacking energy: -47.080
Base-Backbone interact. energy: 3.945
local terms energy: -84.769290
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -5.492
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -425.317007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.317007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.317007 (E_RNA)
where:
Base-Base interactions energy: -288.437
where: short stacking energy: -133.844
Base-Backbone interact. energy: -0.399
local terms energy: -136.480949
where:
bonds (distance) C4'-P energy: -24.529
bonds (distance) P-C4' energy: -25.415
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -37.900
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: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -383.078838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.078838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.078838 (E_RNA)
where:
Base-Base interactions energy: -243.362
where: short stacking energy: -119.922
Base-Backbone interact. energy: -1.984
local terms energy: -137.733244
where:
bonds (distance) C4'-P energy: -23.763
bonds (distance) P-C4' energy: -30.790
flat angles C4'-P-C4' energy: -27.658
flat angles P-C4'-P energy: -19.425
tors. eta vs tors. theta energy: -36.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -396.170307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.170307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.170307 (E_RNA)
where:
Base-Base interactions energy: -254.917
where: short stacking energy: -127.875
Base-Backbone interact. energy: -0.096
local terms energy: -141.156689
where:
bonds (distance) C4'-P energy: -26.268
bonds (distance) P-C4' energy: -30.043
flat angles C4'-P-C4' energy: -26.282
flat angles P-C4'-P energy: -22.521
tors. eta vs tors. theta energy: -36.044
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: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -301.931757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.931757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.931757 (E_RNA)
where:
Base-Base interactions energy: -179.553
where: short stacking energy: -107.561
Base-Backbone interact. energy: -0.495
local terms energy: -121.883360
where:
bonds (distance) C4'-P energy: -24.327
bonds (distance) P-C4' energy: -29.883
flat angles C4'-P-C4' energy: -25.360
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -28.703
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: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -327.284766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.284766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.284766 (E_RNA)
where:
Base-Base interactions energy: -201.312
where: short stacking energy: -117.823
Base-Backbone interact. energy: -0.506
local terms energy: -125.466854
where:
bonds (distance) C4'-P energy: -23.293
bonds (distance) P-C4' energy: -25.801
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -17.830
tors. eta vs tors. theta energy: -31.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -300.693868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.693868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.693868 (E_RNA)
where:
Base-Base interactions energy: -178.912
where: short stacking energy: -98.814
Base-Backbone interact. energy: -0.408
local terms energy: -121.373948
where:
bonds (distance) C4'-P energy: -20.898
bonds (distance) P-C4' energy: -26.803
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: -28.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -259.720669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.720669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.720669 (E_RNA)
where:
Base-Base interactions energy: -169.131
where: short stacking energy: -90.854
Base-Backbone interact. energy: -0.095
local terms energy: -90.494080
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -23.836
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -15.300
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: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -249.956374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.956374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.956374 (E_RNA)
where:
Base-Base interactions energy: -143.754
where: short stacking energy: -83.926
Base-Backbone interact. energy: -0.482
local terms energy: -105.720990
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -24.842
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -23.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -122.183611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.183611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.183611 (E_RNA)
where:
Base-Base interactions energy: -43.175
where: short stacking energy: -40.502
Base-Backbone interact. energy: -0.998
local terms energy: -78.011260
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -25.750
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -17.782
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: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -132.489101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.489101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.489101 (E_RNA)
where:
Base-Base interactions energy: -53.557
where: short stacking energy: -48.111
Base-Backbone interact. energy: 1.118
local terms energy: -80.050662
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -20.386
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -3.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -419.212165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.212165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.212165 (E_RNA)
where:
Base-Base interactions energy: -281.194
where: short stacking energy: -130.611
Base-Backbone interact. energy: -1.222
local terms energy: -136.796131
where:
bonds (distance) C4'-P energy: -26.109
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -26.675
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: -41.354
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: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -393.931639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.931639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.931639 (E_RNA)
where:
Base-Base interactions energy: -249.774
where: short stacking energy: -122.856
Base-Backbone interact. energy: -0.742
local terms energy: -143.415334
where:
bonds (distance) C4'-P energy: -25.643
bonds (distance) P-C4' energy: -30.192
flat angles C4'-P-C4' energy: -29.373
flat angles P-C4'-P energy: -22.089
tors. eta vs tors. theta energy: -36.119
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: 3, replica: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -392.567940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.567940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.567940 (E_RNA)
where:
Base-Base interactions energy: -259.621
where: short stacking energy: -130.600
Base-Backbone interact. energy: -0.006
local terms energy: -132.940850
where:
bonds (distance) C4'-P energy: -25.626
bonds (distance) P-C4' energy: -28.995
flat angles C4'-P-C4' energy: -25.920
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -39.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -310.320811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.320811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.320811 (E_RNA)
where:
Base-Base interactions energy: -192.971
where: short stacking energy: -98.308
Base-Backbone interact. energy: 0.584
local terms energy: -117.934010
where:
bonds (distance) C4'-P energy: -25.862
bonds (distance) P-C4' energy: -26.304
flat angles C4'-P-C4' energy: -27.340
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -25.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -323.321864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.321864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.321864 (E_RNA)
where:
Base-Base interactions energy: -203.458
where: short stacking energy: -108.082
Base-Backbone interact. energy: -0.122
local terms energy: -119.741145
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -23.282
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -33.111
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: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -260.079244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.079244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.079244 (E_RNA)
where:
Base-Base interactions energy: -154.840
where: short stacking energy: -91.232
Base-Backbone interact. energy: -0.445
local terms energy: -104.794688
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -23.105
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -21.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -240.523996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.523996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.523996 (E_RNA)
where:
Base-Base interactions energy: -136.421
where: short stacking energy: -75.888
Base-Backbone interact. energy: -0.267
local terms energy: -103.835971
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -22.615
flat angles C4'-P-C4' energy: -27.797
flat angles P-C4'-P energy: -16.483
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: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -232.300441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.300441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.300441 (E_RNA)
where:
Base-Base interactions energy: -143.325
where: short stacking energy: -77.072
Base-Backbone interact. energy: -0.354
local terms energy: -88.621695
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -25.651
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -9.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -135.895392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.895392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.895392 (E_RNA)
where:
Base-Base interactions energy: -57.573
where: short stacking energy: -56.929
Base-Backbone interact. energy: 2.109
local terms energy: -80.431116
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -21.678
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: 10, replica: 3
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -129.539201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.539201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.539201 (E_RNA)
where:
Base-Base interactions energy: -47.208
where: short stacking energy: -45.187
Base-Backbone interact. energy: -0.493
local terms energy: -81.837986
where:
bonds (distance) C4'-P energy: -25.390
bonds (distance) P-C4' energy: -22.447
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -10.388
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -414.384250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.384250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.384250 (E_RNA)
where:
Base-Base interactions energy: -287.023
where: short stacking energy: -137.622
Base-Backbone interact. energy: -0.324
local terms energy: -127.036663
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -25.186
flat angles C4'-P-C4' energy: -26.173
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -38.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -396.030815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.030815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.030815 (E_RNA)
where:
Base-Base interactions energy: -264.567
where: short stacking energy: -133.938
Base-Backbone interact. energy: -0.578
local terms energy: -130.885574
where:
bonds (distance) C4'-P energy: -22.721
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -28.644
flat angles P-C4'-P energy: -19.856
tors. eta vs tors. theta energy: -37.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -362.094624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.094624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.094624 (E_RNA)
where:
Base-Base interactions energy: -236.369
where: short stacking energy: -118.215
Base-Backbone interact. energy: -0.653
local terms energy: -125.072684
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -27.936
flat angles C4'-P-C4' energy: -27.839
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -31.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -319.261918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.261918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.261918 (E_RNA)
where:
Base-Base interactions energy: -198.622
where: short stacking energy: -109.499
Base-Backbone interact. energy: -0.498
local terms energy: -120.142091
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -28.589
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -25.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -295.068263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.068263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.068263 (E_RNA)
where:
Base-Base interactions energy: -180.679
where: short stacking energy: -104.233
Base-Backbone interact. energy: -0.449
local terms energy: -113.940947
where:
bonds (distance) C4'-P energy: -26.203
bonds (distance) P-C4' energy: -28.241
flat angles C4'-P-C4' energy: -21.491
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -23.743
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: 171
Temperature: 1.150000
Total energy: -242.356572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.356572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.356572 (E_RNA)
where:
Base-Base interactions energy: -144.877
where: short stacking energy: -72.214
Base-Backbone interact. energy: -0.580
local terms energy: -96.899646
where:
bonds (distance) C4'-P energy: -26.183
bonds (distance) P-C4' energy: -24.530
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -10.147
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: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -272.045006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.045006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.045006 (E_RNA)
where:
Base-Base interactions energy: -169.296
where: short stacking energy: -103.865
Base-Backbone interact. energy: 0.421
local terms energy: -103.169093
where:
bonds (distance) C4'-P energy: -25.277
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -27.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -259.565525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.565525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.565525 (E_RNA)
where:
Base-Base interactions energy: -153.000
where: short stacking energy: -88.488
Base-Backbone interact. energy: -0.413
local terms energy: -106.152295
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -28.059
flat angles P-C4'-P energy: -17.955
tors. eta vs tors. theta energy: -21.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -164.536693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.536693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.536693 (E_RNA)
where:
Base-Base interactions energy: -90.290
where: short stacking energy: -56.363
Base-Backbone interact. energy: 0.035
local terms energy: -74.281525
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -117.987576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.987576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.987576 (E_RNA)
where:
Base-Base interactions energy: -37.549
where: short stacking energy: -35.072
Base-Backbone interact. energy: -0.044
local terms energy: -80.394163
where:
bonds (distance) C4'-P energy: -25.889
bonds (distance) P-C4' energy: -23.115
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -13.429
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -411.191288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.191288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.191288 (E_RNA)
where:
Base-Base interactions energy: -276.995
where: short stacking energy: -129.755
Base-Backbone interact. energy: -0.026
local terms energy: -134.169583
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -28.749
flat angles P-C4'-P energy: -19.662
tors. eta vs tors. theta energy: -39.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -406.343802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.343802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.343802 (E_RNA)
where:
Base-Base interactions energy: -266.418
where: short stacking energy: -138.815
Base-Backbone interact. energy: -0.506
local terms energy: -139.419954
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -30.115
flat angles C4'-P-C4' energy: -28.735
flat angles P-C4'-P energy: -17.675
tors. eta vs tors. theta energy: -40.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -340.543907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.543907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.543907 (E_RNA)
where:
Base-Base interactions energy: -224.543
where: short stacking energy: -120.775
Base-Backbone interact. energy: -0.589
local terms energy: -115.412670
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -24.441
flat angles C4'-P-C4' energy: -28.073
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -33.609
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: 1
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -315.520487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.520487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.520487 (E_RNA)
where:
Base-Base interactions energy: -191.325
where: short stacking energy: -100.811
Base-Backbone interact. energy: -0.106
local terms energy: -124.089621
where:
bonds (distance) C4'-P energy: -26.301
bonds (distance) P-C4' energy: -27.951
flat angles C4'-P-C4' energy: -25.634
flat angles P-C4'-P energy: -19.812
tors. eta vs tors. theta energy: -24.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -263.700438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.700438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.700438 (E_RNA)
where:
Base-Base interactions energy: -151.832
where: short stacking energy: -83.248
Base-Backbone interact. energy: -0.625
local terms energy: -111.243737
where:
bonds (distance) C4'-P energy: -28.633
bonds (distance) P-C4' energy: -20.901
flat angles C4'-P-C4' energy: -28.456
flat angles P-C4'-P energy: -20.869
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: 172
Temperature: 1.150000
Total energy: -249.962051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.962051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.962051 (E_RNA)
where:
Base-Base interactions energy: -142.090
where: short stacking energy: -77.743
Base-Backbone interact. energy: 0.355
local terms energy: -108.226756
where:
bonds (distance) C4'-P energy: -25.157
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -29.043
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: -17.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -251.319699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.319699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.319699 (E_RNA)
where:
Base-Base interactions energy: -150.974
where: short stacking energy: -74.368
Base-Backbone interact. energy: -0.204
local terms energy: -100.141790
where:
bonds (distance) C4'-P energy: -24.726
bonds (distance) P-C4' energy: -22.898
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -15.856
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: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -241.188809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.188809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.188809 (E_RNA)
where:
Base-Base interactions energy: -144.744
where: short stacking energy: -81.078
Base-Backbone interact. energy: 0.334
local terms energy: -96.778536
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -21.159
flat angles C4'-P-C4' energy: -23.234
flat angles P-C4'-P energy: -16.323
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -182.457366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.457366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.457366 (E_RNA)
where:
Base-Base interactions energy: -101.949
where: short stacking energy: -61.860
Base-Backbone interact. energy: -0.177
local terms energy: -80.331608
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -28.097
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -131.965452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.965452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.965452 (E_RNA)
where:
Base-Base interactions energy: -59.689
where: short stacking energy: -41.296
Base-Backbone interact. energy: -1.000
local terms energy: -71.276387
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -24.155
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -2.205
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -410.488638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.488638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.488638 (E_RNA)
where:
Base-Base interactions energy: -271.688
where: short stacking energy: -134.652
Base-Backbone interact. energy: -1.178
local terms energy: -137.622824
where:
bonds (distance) C4'-P energy: -25.110
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -28.183
flat angles P-C4'-P energy: -19.597
tors. eta vs tors. theta energy: -41.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -396.306696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.306696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.306696 (E_RNA)
where:
Base-Base interactions energy: -259.868
where: short stacking energy: -126.468
Base-Backbone interact. energy: -0.928
local terms energy: -135.510869
where:
bonds (distance) C4'-P energy: -22.291
bonds (distance) P-C4' energy: -30.086
flat angles C4'-P-C4' energy: -28.233
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -39.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -366.029539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.029539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.029539 (E_RNA)
where:
Base-Base interactions energy: -237.883
where: short stacking energy: -130.213
Base-Backbone interact. energy: -0.078
local terms energy: -128.068044
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -27.080
flat angles C4'-P-C4' energy: -24.845
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: -34.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -351.852942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.852942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.852942 (E_RNA)
where:
Base-Base interactions energy: -231.733
where: short stacking energy: -109.778
Base-Backbone interact. energy: -2.137
local terms energy: -117.982682
where:
bonds (distance) C4'-P energy: -22.870
bonds (distance) P-C4' energy: -26.171
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -18.936
tors. eta vs tors. theta energy: -27.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -258.274987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.274987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.274987 (E_RNA)
where:
Base-Base interactions energy: -150.562
where: short stacking energy: -93.614
Base-Backbone interact. energy: -1.204
local terms energy: -106.509265
where:
bonds (distance) C4'-P energy: -25.669
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: -23.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -270.761308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.761308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.761308 (E_RNA)
where:
Base-Base interactions energy: -152.737
where: short stacking energy: -87.619
Base-Backbone interact. energy: -1.043
local terms energy: -116.981966
where:
bonds (distance) C4'-P energy: -28.127
bonds (distance) P-C4' energy: -25.413
flat angles C4'-P-C4' energy: -28.552
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -22.813
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: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -261.713124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.713124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.713124 (E_RNA)
where:
Base-Base interactions energy: -161.158
where: short stacking energy: -87.482
Base-Backbone interact. energy: -0.461
local terms energy: -100.094065
where:
bonds (distance) C4'-P energy: -23.078
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -23.633
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -24.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -231.417346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.417346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.417346 (E_RNA)
where:
Base-Base interactions energy: -127.416
where: short stacking energy: -86.335
Base-Backbone interact. energy: 0.370
local terms energy: -104.371935
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -27.379
flat angles C4'-P-C4' energy: -22.237
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -23.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -229.951814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.951814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.951814 (E_RNA)
where:
Base-Base interactions energy: -136.147
where: short stacking energy: -71.607
Base-Backbone interact. energy: -0.863
local terms energy: -92.942019
where:
bonds (distance) C4'-P energy: -24.368
bonds (distance) P-C4' energy: -26.241
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -7.770
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: 10, replica: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -115.782862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.782862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.782862 (E_RNA)
where:
Base-Base interactions energy: -41.188
where: short stacking energy: -26.946
Base-Backbone interact. energy: 0.413
local terms energy: -75.007897
where:
bonds (distance) C4'-P energy: -24.012
bonds (distance) P-C4' energy: -22.673
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: 6.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -420.664652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.664652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.664652 (E_RNA)
where:
Base-Base interactions energy: -276.258
where: short stacking energy: -125.426
Base-Backbone interact. energy: -0.289
local terms energy: -144.117455
where:
bonds (distance) C4'-P energy: -24.393
bonds (distance) P-C4' energy: -28.822
flat angles C4'-P-C4' energy: -25.885
flat angles P-C4'-P energy: -24.075
tors. eta vs tors. theta energy: -40.942
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: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -407.534570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.534570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.534570 (E_RNA)
where:
Base-Base interactions energy: -270.760
where: short stacking energy: -147.868
Base-Backbone interact. energy: -0.245
local terms energy: -136.529366
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -27.179
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -43.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -357.054499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.054499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.054499 (E_RNA)
where:
Base-Base interactions energy: -227.053
where: short stacking energy: -109.993
Base-Backbone interact. energy: -0.575
local terms energy: -129.426268
where:
bonds (distance) C4'-P energy: -23.573
bonds (distance) P-C4' energy: -27.699
flat angles C4'-P-C4' energy: -26.329
flat angles P-C4'-P energy: -22.549
tors. eta vs tors. theta energy: -29.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -337.360313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.360313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.360313 (E_RNA)
where:
Base-Base interactions energy: -217.293
where: short stacking energy: -114.481
Base-Backbone interact. energy: -0.511
local terms energy: -119.556380
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -25.628
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: -32.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -296.210486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.210486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.210486 (E_RNA)
where:
Base-Base interactions energy: -176.863
where: short stacking energy: -97.607
Base-Backbone interact. energy: -0.836
local terms energy: -118.512154
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -26.055
flat angles C4'-P-C4' energy: -25.359
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -28.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -237.286440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.286440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.286440 (E_RNA)
where:
Base-Base interactions energy: -144.094
where: short stacking energy: -72.947
Base-Backbone interact. energy: -0.664
local terms energy: -92.528237
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -26.689
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -276.044229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.044229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.044229 (E_RNA)
where:
Base-Base interactions energy: -166.240
where: short stacking energy: -87.476
Base-Backbone interact. energy: -0.958
local terms energy: -108.845971
where:
bonds (distance) C4'-P energy: -25.946
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -25.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -233.826338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.826338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.826338 (E_RNA)
where:
Base-Base interactions energy: -137.061
where: short stacking energy: -95.590
Base-Backbone interact. energy: -0.089
local terms energy: -96.675480
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -21.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -234.272037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.272037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.272037 (E_RNA)
where:
Base-Base interactions energy: -133.525
where: short stacking energy: -73.003
Base-Backbone interact. energy: -0.408
local terms energy: -100.339395
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -24.786
flat angles C4'-P-C4' energy: -26.210
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -12.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -124.179198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.179198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.179198 (E_RNA)
where:
Base-Base interactions energy: -43.270
where: short stacking energy: -33.995
Base-Backbone interact. energy: -0.823
local terms energy: -80.085962
where:
bonds (distance) C4'-P energy: -27.599
bonds (distance) P-C4' energy: -28.376
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: 6.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -396.915787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.915787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.915787 (E_RNA)
where:
Base-Base interactions energy: -262.834
where: short stacking energy: -122.972
Base-Backbone interact. energy: -0.423
local terms energy: -133.658629
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -26.960
flat angles P-C4'-P energy: -19.943
tors. eta vs tors. theta energy: -37.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -404.629024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.629024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.629024 (E_RNA)
where:
Base-Base interactions energy: -269.932
where: short stacking energy: -127.002
Base-Backbone interact. energy: -0.624
local terms energy: -134.072151
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -18.832
tors. eta vs tors. theta energy: -41.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -342.330022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.330022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.330022 (E_RNA)
where:
Base-Base interactions energy: -214.772
where: short stacking energy: -111.771
Base-Backbone interact. energy: -1.406
local terms energy: -126.152196
where:
bonds (distance) C4'-P energy: -21.418
bonds (distance) P-C4' energy: -24.746
flat angles C4'-P-C4' energy: -26.846
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -32.846
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: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -326.866204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.866204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.866204 (E_RNA)
where:
Base-Base interactions energy: -206.103
where: short stacking energy: -109.248
Base-Backbone interact. energy: -0.972
local terms energy: -119.792040
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -26.269
flat angles P-C4'-P energy: -19.754
tors. eta vs tors. theta energy: -29.080
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: 10
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -311.502538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.502538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.502538 (E_RNA)
where:
Base-Base interactions energy: -185.201
where: short stacking energy: -104.193
Base-Backbone interact. energy: -0.167
local terms energy: -126.134779
where:
bonds (distance) C4'-P energy: -23.039
bonds (distance) P-C4' energy: -28.298
flat angles C4'-P-C4' energy: -26.490
flat angles P-C4'-P energy: -18.094
tors. eta vs tors. theta energy: -30.214
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: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -281.533662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.533662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.533662 (E_RNA)
where:
Base-Base interactions energy: -167.947
where: short stacking energy: -99.832
Base-Backbone interact. energy: -0.104
local terms energy: -113.482976
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -24.055
flat angles P-C4'-P energy: -19.205
tors. eta vs tors. theta energy: -23.231
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: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -235.383948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.383948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.383948 (E_RNA)
where:
Base-Base interactions energy: -135.707
where: short stacking energy: -84.237
Base-Backbone interact. energy: 0.690
local terms energy: -100.367362
where:
bonds (distance) C4'-P energy: -25.089
bonds (distance) P-C4' energy: -27.647
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -11.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -258.741660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.741660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.741660 (E_RNA)
where:
Base-Base interactions energy: -164.979
where: short stacking energy: -92.296
Base-Backbone interact. energy: -0.399
local terms energy: -93.364267
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -11.248
flat angles C4'-P-C4' energy: -24.316
flat angles P-C4'-P energy: -16.511
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -197.123605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.123605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.123605 (E_RNA)
where:
Base-Base interactions energy: -112.600
where: short stacking energy: -63.564
Base-Backbone interact. energy: -0.447
local terms energy: -84.076954
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -26.040
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -122.667641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.667641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.667641 (E_RNA)
where:
Base-Base interactions energy: -42.580
where: short stacking energy: -42.895
Base-Backbone interact. energy: -0.462
local terms energy: -79.625554
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -25.479
flat angles C4'-P-C4' energy: -23.020
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: 0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -406.033357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.033357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.033357 (E_RNA)
where:
Base-Base interactions energy: -274.664
where: short stacking energy: -133.926
Base-Backbone interact. energy: -0.515
local terms energy: -130.853953
where:
bonds (distance) C4'-P energy: -27.465
bonds (distance) P-C4' energy: -23.152
flat angles C4'-P-C4' energy: -28.070
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -35.111
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: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -405.163793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.163793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.163793 (E_RNA)
where:
Base-Base interactions energy: -269.543
where: short stacking energy: -134.874
Base-Backbone interact. energy: -0.383
local terms energy: -135.238098
where:
bonds (distance) C4'-P energy: -28.566
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -22.447
flat angles P-C4'-P energy: -21.887
tors. eta vs tors. theta energy: -37.975
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: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -367.850187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.850187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.850187 (E_RNA)
where:
Base-Base interactions energy: -244.021
where: short stacking energy: -124.728
Base-Backbone interact. energy: -0.237
local terms energy: -123.592970
where:
bonds (distance) C4'-P energy: -25.313
bonds (distance) P-C4' energy: -24.315
flat angles C4'-P-C4' energy: -24.534
flat angles P-C4'-P energy: -16.840
tors. eta vs tors. theta energy: -32.590
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: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -322.382929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.382929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.382929 (E_RNA)
where:
Base-Base interactions energy: -203.286
where: short stacking energy: -102.227
Base-Backbone interact. energy: -1.163
local terms energy: -117.933969
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -28.046
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -19.792
tors. eta vs tors. theta energy: -27.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -293.028709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.028709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.028709 (E_RNA)
where:
Base-Base interactions energy: -187.664
where: short stacking energy: -99.726
Base-Backbone interact. energy: -0.621
local terms energy: -104.743343
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -27.057
flat angles C4'-P-C4' energy: -22.261
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -25.554
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: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -291.595007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.595007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.595007 (E_RNA)
where:
Base-Base interactions energy: -171.806
where: short stacking energy: -97.632
Base-Backbone interact. energy: -0.551
local terms energy: -119.238097
where:
bonds (distance) C4'-P energy: -27.545
bonds (distance) P-C4' energy: -23.495
flat angles C4'-P-C4' energy: -24.617
flat angles P-C4'-P energy: -19.109
tors. eta vs tors. theta energy: -24.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -270.655689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.655689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.655689 (E_RNA)
where:
Base-Base interactions energy: -169.293
where: short stacking energy: -91.997
Base-Backbone interact. energy: -0.302
local terms energy: -101.059954
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -23.442
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -224.456040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.456040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.456040 (E_RNA)
where:
Base-Base interactions energy: -138.017
where: short stacking energy: -81.582
Base-Backbone interact. energy: -0.052
local terms energy: -86.387516
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -186.521517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.521517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.521517 (E_RNA)
where:
Base-Base interactions energy: -105.039
where: short stacking energy: -61.791
Base-Backbone interact. energy: -2.037
local terms energy: -79.445140
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -3.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -126.960475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.960475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.960475 (E_RNA)
where:
Base-Base interactions energy: -42.627
where: short stacking energy: -42.627
Base-Backbone interact. energy: 1.680
local terms energy: -86.013529
where:
bonds (distance) C4'-P energy: -25.324
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -26.580
flat angles P-C4'-P energy: -18.193
tors. eta vs tors. theta energy: 7.774
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -407.930360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.930360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.930360 (E_RNA)
where:
Base-Base interactions energy: -265.763
where: short stacking energy: -121.132
Base-Backbone interact. energy: -2.081
local terms energy: -140.086044
where:
bonds (distance) C4'-P energy: -27.681
bonds (distance) P-C4' energy: -28.043
flat angles C4'-P-C4' energy: -29.882
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: -34.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -401.907478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.907478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.907478 (E_RNA)
where:
Base-Base interactions energy: -258.282
where: short stacking energy: -133.741
Base-Backbone interact. energy: -1.202
local terms energy: -142.423793
where:
bonds (distance) C4'-P energy: -28.559
bonds (distance) P-C4' energy: -26.490
flat angles C4'-P-C4' energy: -27.035
flat angles P-C4'-P energy: -20.987
tors. eta vs tors. theta energy: -39.353
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: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -360.791620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.791620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.791620 (E_RNA)
where:
Base-Base interactions energy: -225.441
where: short stacking energy: -114.761
Base-Backbone interact. energy: -2.148
local terms energy: -133.202103
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -28.279
flat angles C4'-P-C4' energy: -27.901
flat angles P-C4'-P energy: -21.073
tors. eta vs tors. theta energy: -32.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -325.641897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.641897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.641897 (E_RNA)
where:
Base-Base interactions energy: -211.338
where: short stacking energy: -114.929
Base-Backbone interact. energy: -0.708
local terms energy: -113.595144
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -23.026
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -31.234
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: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -292.952110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.952110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.952110 (E_RNA)
where:
Base-Base interactions energy: -194.780
where: short stacking energy: -92.736
Base-Backbone interact. energy: -0.808
local terms energy: -97.364511
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -25.173
flat angles C4'-P-C4' energy: -29.532
flat angles P-C4'-P energy: -15.091
tors. eta vs tors. theta energy: -13.307
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: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -277.067647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.067647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.067647 (E_RNA)
where:
Base-Base interactions energy: -165.937
where: short stacking energy: -100.863
Base-Backbone interact. energy: 0.764
local terms energy: -111.894841
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -29.241
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -23.376
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: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -283.863557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.863557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.863557 (E_RNA)
where:
Base-Base interactions energy: -166.310
where: short stacking energy: -102.009
Base-Backbone interact. energy: -0.445
local terms energy: -117.108392
where:
bonds (distance) C4'-P energy: -25.880
bonds (distance) P-C4' energy: -23.002
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -26.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -232.564958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.564958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.564958 (E_RNA)
where:
Base-Base interactions energy: -128.115
where: short stacking energy: -80.386
Base-Backbone interact. energy: -0.718
local terms energy: -103.731672
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -28.191
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -23.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -166.964501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.964501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.964501 (E_RNA)
where:
Base-Base interactions energy: -71.723
where: short stacking energy: -50.275
Base-Backbone interact. energy: -0.142
local terms energy: -95.099626
where:
bonds (distance) C4'-P energy: -25.744
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -22.282
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -10.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -119.020141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.020141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.020141 (E_RNA)
where:
Base-Base interactions energy: -49.467
where: short stacking energy: -48.985
Base-Backbone interact. energy: -0.237
local terms energy: -69.315438
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -411.372193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.372193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.372193 (E_RNA)
where:
Base-Base interactions energy: -272.417
where: short stacking energy: -145.526
Base-Backbone interact. energy: -0.307
local terms energy: -138.648223
where:
bonds (distance) C4'-P energy: -19.857
bonds (distance) P-C4' energy: -29.385
flat angles C4'-P-C4' energy: -29.141
flat angles P-C4'-P energy: -18.278
tors. eta vs tors. theta energy: -41.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -402.104888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.104888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.104888 (E_RNA)
where:
Base-Base interactions energy: -264.380
where: short stacking energy: -137.246
Base-Backbone interact. energy: 0.902
local terms energy: -138.627143
where:
bonds (distance) C4'-P energy: -26.850
bonds (distance) P-C4' energy: -27.092
flat angles C4'-P-C4' energy: -27.872
flat angles P-C4'-P energy: -21.846
tors. eta vs tors. theta energy: -34.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -368.970645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.970645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.970645 (E_RNA)
where:
Base-Base interactions energy: -240.986
where: short stacking energy: -124.133
Base-Backbone interact. energy: -2.086
local terms energy: -125.898477
where:
bonds (distance) C4'-P energy: -26.215
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -28.864
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -35.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -351.712862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.712862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.712862 (E_RNA)
where:
Base-Base interactions energy: -215.056
where: short stacking energy: -106.817
Base-Backbone interact. energy: -0.965
local terms energy: -135.691898
where:
bonds (distance) C4'-P energy: -25.068
bonds (distance) P-C4' energy: -26.890
flat angles C4'-P-C4' energy: -24.349
flat angles P-C4'-P energy: -19.478
tors. eta vs tors. theta energy: -39.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -299.607991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.607991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.607991 (E_RNA)
where:
Base-Base interactions energy: -178.562
where: short stacking energy: -93.118
Base-Backbone interact. energy: -0.531
local terms energy: -120.514815
where:
bonds (distance) C4'-P energy: -25.468
bonds (distance) P-C4' energy: -28.926
flat angles C4'-P-C4' energy: -27.388
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -21.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -297.240919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.240919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.240919 (E_RNA)
where:
Base-Base interactions energy: -184.043
where: short stacking energy: -97.999
Base-Backbone interact. energy: 1.015
local terms energy: -114.212694
where:
bonds (distance) C4'-P energy: -24.071
bonds (distance) P-C4' energy: -19.140
flat angles C4'-P-C4' energy: -25.670
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -29.884
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: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -247.406362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.406362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.406362 (E_RNA)
where:
Base-Base interactions energy: -136.525
where: short stacking energy: -74.402
Base-Backbone interact. energy: -0.145
local terms energy: -110.736798
where:
bonds (distance) C4'-P energy: -25.676
bonds (distance) P-C4' energy: -23.116
flat angles C4'-P-C4' energy: -25.551
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -247.308901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.308901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.308901 (E_RNA)
where:
Base-Base interactions energy: -144.286
where: short stacking energy: -89.807
Base-Backbone interact. energy: -0.405
local terms energy: -102.617599
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -25.074
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -23.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -131.154323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.154323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.154323 (E_RNA)
where:
Base-Base interactions energy: -41.257
where: short stacking energy: -29.559
Base-Backbone interact. energy: -1.277
local terms energy: -88.620696
where:
bonds (distance) C4'-P energy: -29.000
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -19.144
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -122.265124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.265124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.265124 (E_RNA)
where:
Base-Base interactions energy: -39.010
where: short stacking energy: -34.309
Base-Backbone interact. energy: -0.536
local terms energy: -82.718653
where:
bonds (distance) C4'-P energy: -27.821
bonds (distance) P-C4' energy: -29.134
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -9.167
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -417.833131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.833131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.833131 (E_RNA)
where:
Base-Base interactions energy: -276.504
where: short stacking energy: -137.818
Base-Backbone interact. energy: -2.355
local terms energy: -138.973872
where:
bonds (distance) C4'-P energy: -23.007
bonds (distance) P-C4' energy: -29.056
flat angles C4'-P-C4' energy: -28.583
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -42.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -395.287590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.287590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.287590 (E_RNA)
where:
Base-Base interactions energy: -259.041
where: short stacking energy: -133.250
Base-Backbone interact. energy: -1.535
local terms energy: -134.712277
where:
bonds (distance) C4'-P energy: -24.418
bonds (distance) P-C4' energy: -27.008
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: -35.068
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: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -377.430696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.430696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.430696 (E_RNA)
where:
Base-Base interactions energy: -249.909
where: short stacking energy: -115.443
Base-Backbone interact. energy: -0.340
local terms energy: -127.182008
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -27.948
flat angles C4'-P-C4' energy: -28.584
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -35.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -357.530040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.530040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.530040 (E_RNA)
where:
Base-Base interactions energy: -237.233
where: short stacking energy: -130.391
Base-Backbone interact. energy: -0.019
local terms energy: -120.278444
where:
bonds (distance) C4'-P energy: -29.627
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -24.395
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -31.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -300.576401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.576401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.576401 (E_RNA)
where:
Base-Base interactions energy: -179.084
where: short stacking energy: -102.001
Base-Backbone interact. energy: -1.073
local terms energy: -120.419426
where:
bonds (distance) C4'-P energy: -25.052
bonds (distance) P-C4' energy: -24.799
flat angles C4'-P-C4' energy: -26.113
flat angles P-C4'-P energy: -21.576
tors. eta vs tors. theta energy: -22.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -294.146569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.146569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.146569 (E_RNA)
where:
Base-Base interactions energy: -181.067
where: short stacking energy: -103.327
Base-Backbone interact. energy: -0.497
local terms energy: -112.582269
where:
bonds (distance) C4'-P energy: -24.022
bonds (distance) P-C4' energy: -26.046
flat angles C4'-P-C4' energy: -25.982
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -21.475
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: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -233.138112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.138112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.138112 (E_RNA)
where:
Base-Base interactions energy: -126.403
where: short stacking energy: -80.486
Base-Backbone interact. energy: -0.684
local terms energy: -106.051877
where:
bonds (distance) C4'-P energy: -28.973
bonds (distance) P-C4' energy: -27.279
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -255.310689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.310689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.310689 (E_RNA)
where:
Base-Base interactions energy: -151.772
where: short stacking energy: -77.788
Base-Backbone interact. energy: -0.416
local terms energy: -103.122944
where:
bonds (distance) C4'-P energy: -23.535
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -19.795
flat angles P-C4'-P energy: -16.151
tors. eta vs tors. theta energy: -20.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -128.961223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.961223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.961223 (E_RNA)
where:
Base-Base interactions energy: -58.722
where: short stacking energy: -35.861
Base-Backbone interact. energy: 1.276
local terms energy: -71.514684
where:
bonds (distance) C4'-P energy: -21.970
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -24.888
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: 7.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -141.443655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.443655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.443655 (E_RNA)
where:
Base-Base interactions energy: -63.480
where: short stacking energy: -48.862
Base-Backbone interact. energy: -0.968
local terms energy: -76.995530
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -26.760
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -1.414
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -410.955831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.955831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.955831 (E_RNA)
where:
Base-Base interactions energy: -267.930
where: short stacking energy: -135.088
Base-Backbone interact. energy: -1.233
local terms energy: -141.792825
where:
bonds (distance) C4'-P energy: -24.836
bonds (distance) P-C4' energy: -26.238
flat angles C4'-P-C4' energy: -32.280
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -39.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -380.363461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.363461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.363461 (E_RNA)
where:
Base-Base interactions energy: -244.857
where: short stacking energy: -123.264
Base-Backbone interact. energy: -1.169
local terms energy: -134.337761
where:
bonds (distance) C4'-P energy: -26.367
bonds (distance) P-C4' energy: -27.519
flat angles C4'-P-C4' energy: -27.471
flat angles P-C4'-P energy: -18.366
tors. eta vs tors. theta energy: -34.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -396.976029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.976029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.976029 (E_RNA)
where:
Base-Base interactions energy: -265.240
where: short stacking energy: -130.681
Base-Backbone interact. energy: -0.571
local terms energy: -131.165258
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -26.120
flat angles C4'-P-C4' energy: -29.932
flat angles P-C4'-P energy: -17.802
tors. eta vs tors. theta energy: -37.137
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: 9
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -342.819578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.819578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.819578 (E_RNA)
where:
Base-Base interactions energy: -217.287
where: short stacking energy: -119.597
Base-Backbone interact. energy: -0.748
local terms energy: -124.785063
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -21.591
flat angles C4'-P-C4' energy: -29.454
flat angles P-C4'-P energy: -21.926
tors. eta vs tors. theta energy: -33.805
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: 3
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -292.988105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.988105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.988105 (E_RNA)
where:
Base-Base interactions energy: -173.343
where: short stacking energy: -98.801
Base-Backbone interact. energy: -1.210
local terms energy: -118.434730
where:
bonds (distance) C4'-P energy: -26.150
bonds (distance) P-C4' energy: -21.016
flat angles C4'-P-C4' energy: -26.665
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: -25.063
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: 6, replica: 8
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -298.203895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.203895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.203895 (E_RNA)
where:
Base-Base interactions energy: -178.385
where: short stacking energy: -96.803
Base-Backbone interact. energy: -1.464
local terms energy: -118.354897
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -27.499
flat angles C4'-P-C4' energy: -26.800
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -24.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -275.614540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.614540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.614540 (E_RNA)
where:
Base-Base interactions energy: -180.640
where: short stacking energy: -91.000
Base-Backbone interact. energy: -0.284
local terms energy: -94.690753
where:
bonds (distance) C4'-P energy: -21.694
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -15.020
tors. eta vs tors. theta energy: -23.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -252.187220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.187220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.187220 (E_RNA)
where:
Base-Base interactions energy: -151.836
where: short stacking energy: -90.629
Base-Backbone interact. energy: -0.172
local terms energy: -100.178970
where:
bonds (distance) C4'-P energy: -21.958
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -21.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -138.582898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.582898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.582898 (E_RNA)
where:
Base-Base interactions energy: -49.640
where: short stacking energy: -36.756
Base-Backbone interact. energy: -0.375
local terms energy: -88.568555
where:
bonds (distance) C4'-P energy: -21.706
bonds (distance) P-C4' energy: -22.907
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -18.777
tors. eta vs tors. theta energy: -6.506
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: 180
Temperature: 1.350000
Total energy: -122.840716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.840716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.840716 (E_RNA)
where:
Base-Base interactions energy: -39.434
where: short stacking energy: -35.156
Base-Backbone interact. energy: 2.149
local terms energy: -85.555470
where:
bonds (distance) C4'-P energy: -22.468
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -16.513
tors. eta vs tors. theta energy: -4.747
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -410.130999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.130999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.130999 (E_RNA)
where:
Base-Base interactions energy: -269.236
where: short stacking energy: -136.142
Base-Backbone interact. energy: -0.056
local terms energy: -140.839080
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -30.874
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -43.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -407.056961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.056961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.056961 (E_RNA)
where:
Base-Base interactions energy: -280.751
where: short stacking energy: -134.331
Base-Backbone interact. energy: 2.232
local terms energy: -128.538053
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -27.919
flat angles P-C4'-P energy: -18.708
tors. eta vs tors. theta energy: -36.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -363.682943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.682943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.682943 (E_RNA)
where:
Base-Base interactions energy: -230.414
where: short stacking energy: -116.269
Base-Backbone interact. energy: -1.290
local terms energy: -131.979257
where:
bonds (distance) C4'-P energy: -26.438
bonds (distance) P-C4' energy: -26.153
flat angles C4'-P-C4' energy: -28.665
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -31.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -338.379815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.379815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.379815 (E_RNA)
where:
Base-Base interactions energy: -222.563
where: short stacking energy: -120.331
Base-Backbone interact. energy: -1.196
local terms energy: -114.621136
where:
bonds (distance) C4'-P energy: -27.399
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -26.498
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -31.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -294.332461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.332461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.332461 (E_RNA)
where:
Base-Base interactions energy: -183.817
where: short stacking energy: -99.203
Base-Backbone interact. energy: -0.026
local terms energy: -110.489107
where:
bonds (distance) C4'-P energy: -23.171
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -22.765
flat angles P-C4'-P energy: -17.357
tors. eta vs tors. theta energy: -27.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -271.658938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.658938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.658938 (E_RNA)
where:
Base-Base interactions energy: -171.541
where: short stacking energy: -88.405
Base-Backbone interact. energy: -0.414
local terms energy: -99.704666
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -25.827
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -20.002
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: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -275.742412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.742412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.742412 (E_RNA)
where:
Base-Base interactions energy: -165.936
where: short stacking energy: -95.837
Base-Backbone interact. energy: -0.067
local terms energy: -109.740246
where:
bonds (distance) C4'-P energy: -23.215
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -21.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -228.378627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.378627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.378627 (E_RNA)
where:
Base-Base interactions energy: -135.604
where: short stacking energy: -69.624
Base-Backbone interact. energy: 0.036
local terms energy: -92.810042
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -12.477
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: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -143.023232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.023232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.023232 (E_RNA)
where:
Base-Base interactions energy: -56.616
where: short stacking energy: -53.767
Base-Backbone interact. energy: -0.181
local terms energy: -86.226937
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -23.992
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -9.919
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: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -141.365402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.365402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.365402 (E_RNA)
where:
Base-Base interactions energy: -58.268
where: short stacking energy: -55.729
Base-Backbone interact. energy: 1.113
local terms energy: -84.210615
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -6.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -412.317007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.317007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.317007 (E_RNA)
where:
Base-Base interactions energy: -266.698
where: short stacking energy: -126.065
Base-Backbone interact. energy: -0.759
local terms energy: -144.860608
where:
bonds (distance) C4'-P energy: -28.323
bonds (distance) P-C4' energy: -27.765
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -21.886
tors. eta vs tors. theta energy: -37.373
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: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -402.687705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.687705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.687705 (E_RNA)
where:
Base-Base interactions energy: -266.616
where: short stacking energy: -135.670
Base-Backbone interact. energy: 0.068
local terms energy: -136.139825
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -27.044
flat angles C4'-P-C4' energy: -27.763
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -38.888
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: 9
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -352.969310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.969310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.969310 (E_RNA)
where:
Base-Base interactions energy: -221.061
where: short stacking energy: -125.192
Base-Backbone interact. energy: -0.009
local terms energy: -131.899182
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -27.166
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -38.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -373.174608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.174608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.174608 (E_RNA)
where:
Base-Base interactions energy: -234.398
where: short stacking energy: -127.434
Base-Backbone interact. energy: -1.904
local terms energy: -136.873096
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -23.318
flat angles C4'-P-C4' energy: -29.915
flat angles P-C4'-P energy: -20.285
tors. eta vs tors. theta energy: -36.383
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: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -262.588024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.588024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.588024 (E_RNA)
where:
Base-Base interactions energy: -157.543
where: short stacking energy: -90.886
Base-Backbone interact. energy: -0.333
local terms energy: -104.711956
where:
bonds (distance) C4'-P energy: -21.854
bonds (distance) P-C4' energy: -24.781
flat angles C4'-P-C4' energy: -23.900
flat angles P-C4'-P energy: -20.433
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: 6, replica: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -280.551720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.551720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.551720 (E_RNA)
where:
Base-Base interactions energy: -168.607
where: short stacking energy: -102.037
Base-Backbone interact. energy: -0.041
local terms energy: -111.904422
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -26.743
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -25.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -238.243242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.243242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.243242 (E_RNA)
where:
Base-Base interactions energy: -140.835
where: short stacking energy: -86.782
Base-Backbone interact. energy: -0.862
local terms energy: -96.545792
where:
bonds (distance) C4'-P energy: -19.066
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -16.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -265.843371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.843371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.843371 (E_RNA)
where:
Base-Base interactions energy: -163.183
where: short stacking energy: -89.506
Base-Backbone interact. energy: -1.802
local terms energy: -100.858090
where:
bonds (distance) C4'-P energy: -8.537
bonds (distance) P-C4' energy: -26.954
flat angles C4'-P-C4' energy: -30.300
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -23.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -127.488911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.488911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.488911 (E_RNA)
where:
Base-Base interactions energy: -37.275
where: short stacking energy: -37.114
Base-Backbone interact. energy: -0.167
local terms energy: -90.047040
where:
bonds (distance) C4'-P energy: -30.980
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -24.908
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -4.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -128.444787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.444787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.444787 (E_RNA)
where:
Base-Base interactions energy: -47.654
where: short stacking energy: -45.842
Base-Backbone interact. energy: -0.515
local terms energy: -80.275970
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -23.573
flat angles P-C4'-P energy: 1.096
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -405.571309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.571309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.571309 (E_RNA)
where:
Base-Base interactions energy: -264.573
where: short stacking energy: -129.206
Base-Backbone interact. energy: 0.179
local terms energy: -141.176949
where:
bonds (distance) C4'-P energy: -27.659
bonds (distance) P-C4' energy: -25.516
flat angles C4'-P-C4' energy: -27.596
flat angles P-C4'-P energy: -22.362
tors. eta vs tors. theta energy: -38.044
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: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -404.929375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.929375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.929375 (E_RNA)
where:
Base-Base interactions energy: -274.929
where: short stacking energy: -132.854
Base-Backbone interact. energy: -0.466
local terms energy: -129.534188
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -26.902
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -19.557
tors. eta vs tors. theta energy: -40.725
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: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -342.430179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.430179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.430179 (E_RNA)
where:
Base-Base interactions energy: -212.889
where: short stacking energy: -114.561
Base-Backbone interact. energy: -0.312
local terms energy: -129.229559
where:
bonds (distance) C4'-P energy: -23.438
bonds (distance) P-C4' energy: -28.790
flat angles C4'-P-C4' energy: -26.784
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: -33.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -357.210548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.210548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.210548 (E_RNA)
where:
Base-Base interactions energy: -238.321
where: short stacking energy: -117.060
Base-Backbone interact. energy: -1.075
local terms energy: -117.815008
where:
bonds (distance) C4'-P energy: -24.637
bonds (distance) P-C4' energy: -24.639
flat angles C4'-P-C4' energy: -23.296
flat angles P-C4'-P energy: -14.661
tors. eta vs tors. theta energy: -30.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -288.644818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.644818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.644818 (E_RNA)
where:
Base-Base interactions energy: -178.381
where: short stacking energy: -102.087
Base-Backbone interact. energy: -2.298
local terms energy: -107.965708
where:
bonds (distance) C4'-P energy: -21.479
bonds (distance) P-C4' energy: -22.232
flat angles C4'-P-C4' energy: -22.891
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -25.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -263.665305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.665305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.665305 (E_RNA)
where:
Base-Base interactions energy: -155.537
where: short stacking energy: -81.459
Base-Backbone interact. energy: -0.548
local terms energy: -107.580513
where:
bonds (distance) C4'-P energy: -28.690
bonds (distance) P-C4' energy: -28.360
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -246.294096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.294096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.294096 (E_RNA)
where:
Base-Base interactions energy: -136.047
where: short stacking energy: -80.703
Base-Backbone interact. energy: -0.317
local terms energy: -109.929552
where:
bonds (distance) C4'-P energy: -23.250
bonds (distance) P-C4' energy: -29.556
flat angles C4'-P-C4' energy: -25.194
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -21.496
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: 183
Temperature: 1.250000
Total energy: -259.000353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.000353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.000353 (E_RNA)
where:
Base-Base interactions energy: -148.382
where: short stacking energy: -77.917
Base-Backbone interact. energy: -0.161
local terms energy: -110.457348
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -27.867
flat angles C4'-P-C4' energy: -26.618
flat angles P-C4'-P energy: -17.249
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: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -135.396203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.396203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.396203 (E_RNA)
where:
Base-Base interactions energy: -64.600
where: short stacking energy: -50.090
Base-Backbone interact. energy: -0.326
local terms energy: -70.470811
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -0.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -130.234853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.234853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.234853 (E_RNA)
where:
Base-Base interactions energy: -39.413
where: short stacking energy: -38.932
Base-Backbone interact. energy: -0.382
local terms energy: -90.439283
where:
bonds (distance) C4'-P energy: -29.941
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -3.719
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -405.104801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.104801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.104801 (E_RNA)
where:
Base-Base interactions energy: -272.167
where: short stacking energy: -131.976
Base-Backbone interact. energy: -0.100
local terms energy: -132.836967
where:
bonds (distance) C4'-P energy: -24.634
bonds (distance) P-C4' energy: -25.446
flat angles C4'-P-C4' energy: -25.038
flat angles P-C4'-P energy: -19.280
tors. eta vs tors. theta energy: -38.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -384.315552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.315552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.315552 (E_RNA)
where:
Base-Base interactions energy: -253.942
where: short stacking energy: -132.865
Base-Backbone interact. energy: -1.272
local terms energy: -129.101819
where:
bonds (distance) C4'-P energy: -28.083
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -24.182
flat angles P-C4'-P energy: -20.207
tors. eta vs tors. theta energy: -36.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -398.319462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.319462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.319462 (E_RNA)
where:
Base-Base interactions energy: -255.561
where: short stacking energy: -140.036
Base-Backbone interact. energy: -2.185
local terms energy: -140.573256
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -27.276
flat angles C4'-P-C4' energy: -31.186
flat angles P-C4'-P energy: -19.361
tors. eta vs tors. theta energy: -40.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -328.195081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.195081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.195081 (E_RNA)
where:
Base-Base interactions energy: -214.201
where: short stacking energy: -96.640
Base-Backbone interact. energy: -1.782
local terms energy: -112.211841
where:
bonds (distance) C4'-P energy: -25.445
bonds (distance) P-C4' energy: -25.151
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -21.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -300.806232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.806232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.806232 (E_RNA)
where:
Base-Base interactions energy: -182.585
where: short stacking energy: -109.362
Base-Backbone interact. energy: 0.447
local terms energy: -118.668718
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -29.068
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -21.631
tors. eta vs tors. theta energy: -24.059
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: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -281.164239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.164239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.164239 (E_RNA)
where:
Base-Base interactions energy: -175.508
where: short stacking energy: -100.833
Base-Backbone interact. energy: -1.296
local terms energy: -104.360688
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -23.628
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -19.500
tors. eta vs tors. theta energy: -22.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -284.269368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.269368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.269368 (E_RNA)
where:
Base-Base interactions energy: -166.283
where: short stacking energy: -93.404
Base-Backbone interact. energy: -0.400
local terms energy: -117.587004
where:
bonds (distance) C4'-P energy: -27.838
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -25.830
flat angles P-C4'-P energy: -17.139
tors. eta vs tors. theta energy: -26.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -261.179195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.179195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.179195 (E_RNA)
where:
Base-Base interactions energy: -159.315
where: short stacking energy: -79.003
Base-Backbone interact. energy: -0.042
local terms energy: -101.822098
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -21.183
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -125.921402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.921402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.921402 (E_RNA)
where:
Base-Base interactions energy: -45.007
where: short stacking energy: -38.454
Base-Backbone interact. energy: -0.657
local terms energy: -80.258063
where:
bonds (distance) C4'-P energy: -25.763
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -23.674
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: 1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -126.020529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.020529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.020529 (E_RNA)
where:
Base-Base interactions energy: -49.878
where: short stacking energy: -50.778
Base-Backbone interact. energy: -0.986
local terms energy: -75.156291
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -23.048
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -1.400
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -418.729165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.729165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.729165 (E_RNA)
where:
Base-Base interactions energy: -273.285
where: short stacking energy: -152.156
Base-Backbone interact. energy: -0.107
local terms energy: -145.336786
where:
bonds (distance) C4'-P energy: -26.931
bonds (distance) P-C4' energy: -27.518
flat angles C4'-P-C4' energy: -29.746
flat angles P-C4'-P energy: -18.925
tors. eta vs tors. theta energy: -42.217
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: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -417.260981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.260981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.260981 (E_RNA)
where:
Base-Base interactions energy: -275.624
where: short stacking energy: -145.870
Base-Backbone interact. energy: -1.729
local terms energy: -139.908663
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -30.274
flat angles C4'-P-C4' energy: -28.771
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -41.491
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: 4
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -392.357733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.357733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.357733 (E_RNA)
where:
Base-Base interactions energy: -258.247
where: short stacking energy: -123.173
Base-Backbone interact. energy: -1.132
local terms energy: -132.978552
where:
bonds (distance) C4'-P energy: -23.413
bonds (distance) P-C4' energy: -30.493
flat angles C4'-P-C4' energy: -25.529
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -36.142
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: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -312.404616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.404616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.404616 (E_RNA)
where:
Base-Base interactions energy: -198.278
where: short stacking energy: -103.035
Base-Backbone interact. energy: -0.088
local terms energy: -114.038270
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -27.390
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -25.867
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: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -290.190148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.190148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.190148 (E_RNA)
where:
Base-Base interactions energy: -177.799
where: short stacking energy: -98.504
Base-Backbone interact. energy: -0.998
local terms energy: -111.393060
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: -22.737
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: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -266.341033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.341033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.341033 (E_RNA)
where:
Base-Base interactions energy: -155.752
where: short stacking energy: -101.612
Base-Backbone interact. energy: -2.442
local terms energy: -108.146404
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -23.285
flat angles C4'-P-C4' energy: -28.674
flat angles P-C4'-P energy: -16.970
tors. eta vs tors. theta energy: -20.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -262.146406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.146406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.146406 (E_RNA)
where:
Base-Base interactions energy: -159.839
where: short stacking energy: -83.406
Base-Backbone interact. energy: -0.382
local terms energy: -101.925962
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -26.295
flat angles C4'-P-C4' energy: -23.591
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -14.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -251.276068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.276068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.276068 (E_RNA)
where:
Base-Base interactions energy: -158.628
where: short stacking energy: -80.779
Base-Backbone interact. energy: -0.216
local terms energy: -92.431769
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -19.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -124.114007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.114007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.114007 (E_RNA)
where:
Base-Base interactions energy: -59.243
where: short stacking energy: -52.774
Base-Backbone interact. energy: -0.650
local terms energy: -64.220959
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -22.413
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: 5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -138.857791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.857791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.857791 (E_RNA)
where:
Base-Base interactions energy: -53.287
where: short stacking energy: -52.484
Base-Backbone interact. energy: 0.100
local terms energy: -85.670690
where:
bonds (distance) C4'-P energy: -24.691
bonds (distance) P-C4' energy: -19.888
flat angles C4'-P-C4' energy: -20.774
flat angles P-C4'-P energy: -15.073
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -419.120646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.120646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.120646 (E_RNA)
where:
Base-Base interactions energy: -274.626
where: short stacking energy: -147.943
Base-Backbone interact. energy: -0.105
local terms energy: -144.390155
where:
bonds (distance) C4'-P energy: -28.122
bonds (distance) P-C4' energy: -23.174
flat angles C4'-P-C4' energy: -29.959
flat angles P-C4'-P energy: -21.171
tors. eta vs tors. theta energy: -41.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -410.053601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.053601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.053601 (E_RNA)
where:
Base-Base interactions energy: -276.479
where: short stacking energy: -138.626
Base-Backbone interact. energy: -0.767
local terms energy: -132.807606
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -26.344
flat angles C4'-P-C4' energy: -29.013
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -40.068
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: 3, replica: 4
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -381.460790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.460790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.460790 (E_RNA)
where:
Base-Base interactions energy: -253.970
where: short stacking energy: -123.718
Base-Backbone interact. energy: -1.425
local terms energy: -126.064909
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -21.363
flat angles C4'-P-C4' energy: -29.771
flat angles P-C4'-P energy: -18.632
tors. eta vs tors. theta energy: -33.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -338.919660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.919660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.919660 (E_RNA)
where:
Base-Base interactions energy: -213.842
where: short stacking energy: -116.897
Base-Backbone interact. energy: -0.075
local terms energy: -125.002112
where:
bonds (distance) C4'-P energy: -25.850
bonds (distance) P-C4' energy: -24.489
flat angles C4'-P-C4' energy: -27.686
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -30.891
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: 186
Temperature: 1.100000
Total energy: -297.781788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.781788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.781788 (E_RNA)
where:
Base-Base interactions energy: -175.782
where: short stacking energy: -100.165
Base-Backbone interact. energy: -0.427
local terms energy: -121.572325
where:
bonds (distance) C4'-P energy: -25.442
bonds (distance) P-C4' energy: -23.075
flat angles C4'-P-C4' energy: -23.537
flat angles P-C4'-P energy: -18.591
tors. eta vs tors. theta energy: -30.927
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: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -260.703579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.703579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.703579 (E_RNA)
where:
Base-Base interactions energy: -146.224
where: short stacking energy: -85.757
Base-Backbone interact. energy: -0.259
local terms energy: -114.220914
where:
bonds (distance) C4'-P energy: -24.451
bonds (distance) P-C4' energy: -27.313
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -28.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -286.838684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.838684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.838684 (E_RNA)
where:
Base-Base interactions energy: -171.981
where: short stacking energy: -97.114
Base-Backbone interact. energy: -0.878
local terms energy: -113.980144
where:
bonds (distance) C4'-P energy: -23.371
bonds (distance) P-C4' energy: -24.294
flat angles C4'-P-C4' energy: -25.264
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -24.359
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: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -247.039776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.039776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.039776 (E_RNA)
where:
Base-Base interactions energy: -142.130
where: short stacking energy: -80.700
Base-Backbone interact. energy: -0.362
local terms energy: -104.547401
where:
bonds (distance) C4'-P energy: -25.974
bonds (distance) P-C4' energy: -25.707
flat angles C4'-P-C4' energy: -25.020
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -13.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -137.089008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.089008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.089008 (E_RNA)
where:
Base-Base interactions energy: -52.729
where: short stacking energy: -37.056
Base-Backbone interact. energy: -0.524
local terms energy: -83.836115
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -27.745
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: 3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -122.494288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.494288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.494288 (E_RNA)
where:
Base-Base interactions energy: -50.740
where: short stacking energy: -39.150
Base-Backbone interact. energy: -0.305
local terms energy: -71.449337
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -21.779
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -10.976
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -427.572349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.572349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.572349 (E_RNA)
where:
Base-Base interactions energy: -282.347
where: short stacking energy: -143.451
Base-Backbone interact. energy: -0.022
local terms energy: -145.203365
where:
bonds (distance) C4'-P energy: -27.105
bonds (distance) P-C4' energy: -25.532
flat angles C4'-P-C4' energy: -26.957
flat angles P-C4'-P energy: -21.347
tors. eta vs tors. theta energy: -44.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -392.908315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.908315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.908315 (E_RNA)
where:
Base-Base interactions energy: -263.370
where: short stacking energy: -121.878
Base-Backbone interact. energy: -0.667
local terms energy: -128.870703
where:
bonds (distance) C4'-P energy: -25.523
bonds (distance) P-C4' energy: -26.121
flat angles C4'-P-C4' energy: -26.777
flat angles P-C4'-P energy: -18.372
tors. eta vs tors. theta energy: -32.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -389.774905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.774905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.774905 (E_RNA)
where:
Base-Base interactions energy: -255.083
where: short stacking energy: -121.724
Base-Backbone interact. energy: -0.967
local terms energy: -133.724690
where:
bonds (distance) C4'-P energy: -25.901
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -26.458
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: -38.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -304.067478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.067478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.067478 (E_RNA)
where:
Base-Base interactions energy: -189.076
where: short stacking energy: -106.500
Base-Backbone interact. energy: 0.232
local terms energy: -115.223085
where:
bonds (distance) C4'-P energy: -24.206
bonds (distance) P-C4' energy: -22.509
flat angles C4'-P-C4' energy: -27.063
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -23.622
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: 5, replica: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -326.987079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.987079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.987079 (E_RNA)
where:
Base-Base interactions energy: -209.170
where: short stacking energy: -110.220
Base-Backbone interact. energy: 1.593
local terms energy: -119.409973
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -26.118
flat angles C4'-P-C4' energy: -30.427
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -31.485
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: 187
Temperature: 1.150000
Total energy: -296.623080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.623080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.623080 (E_RNA)
where:
Base-Base interactions energy: -187.115
where: short stacking energy: -102.034
Base-Backbone interact. energy: -0.547
local terms energy: -108.960378
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -28.524
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -26.356
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: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -243.633314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.633314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.633314 (E_RNA)
where:
Base-Base interactions energy: -148.706
where: short stacking energy: -91.734
Base-Backbone interact. energy: -0.239
local terms energy: -94.688454
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -27.507
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -13.430
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: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -258.046910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.046910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.046910 (E_RNA)
where:
Base-Base interactions energy: -167.691
where: short stacking energy: -90.491
Base-Backbone interact. energy: -1.145
local terms energy: -89.210084
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -23.166
flat angles P-C4'-P energy: -18.650
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -140.889588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.889588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.889588 (E_RNA)
where:
Base-Base interactions energy: -44.749
where: short stacking energy: -43.039
Base-Backbone interact. energy: -0.450
local terms energy: -95.690584
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -27.446
flat angles C4'-P-C4' energy: -25.005
flat angles P-C4'-P energy: -19.803
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: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -118.452767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.452767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.452767 (E_RNA)
where:
Base-Base interactions energy: -31.895
where: short stacking energy: -31.335
Base-Backbone interact. energy: -0.176
local terms energy: -86.381539
where:
bonds (distance) C4'-P energy: -21.560
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -405.752929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.752929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.752929 (E_RNA)
where:
Base-Base interactions energy: -278.779
where: short stacking energy: -129.140
Base-Backbone interact. energy: -0.849
local terms energy: -126.124423
where:
bonds (distance) C4'-P energy: -24.572
bonds (distance) P-C4' energy: -25.076
flat angles C4'-P-C4' energy: -24.693
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: -32.278
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: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -414.635563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.635563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.635563 (E_RNA)
where:
Base-Base interactions energy: -285.019
where: short stacking energy: -131.728
Base-Backbone interact. energy: 0.621
local terms energy: -130.237773
where:
bonds (distance) C4'-P energy: -29.668
bonds (distance) P-C4' energy: -23.578
flat angles C4'-P-C4' energy: -25.300
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -40.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -408.367629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.367629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.367629 (E_RNA)
where:
Base-Base interactions energy: -271.342
where: short stacking energy: -133.791
Base-Backbone interact. energy: -2.196
local terms energy: -134.829692
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -28.702
flat angles P-C4'-P energy: -23.670
tors. eta vs tors. theta energy: -39.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -322.983255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.983255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.983255 (E_RNA)
where:
Base-Base interactions energy: -200.554
where: short stacking energy: -125.037
Base-Backbone interact. energy: -0.008
local terms energy: -122.421520
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -24.824
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -17.374
tors. eta vs tors. theta energy: -32.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -326.797798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.797798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.797798 (E_RNA)
where:
Base-Base interactions energy: -211.269
where: short stacking energy: -111.063
Base-Backbone interact. energy: -1.353
local terms energy: -114.176709
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -25.930
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -29.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -270.775111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.775111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.775111 (E_RNA)
where:
Base-Base interactions energy: -159.630
where: short stacking energy: -88.045
Base-Backbone interact. energy: -0.213
local terms energy: -110.932576
where:
bonds (distance) C4'-P energy: -22.560
bonds (distance) P-C4' energy: -28.154
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -14.747
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -277.182449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.182449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.182449 (E_RNA)
where:
Base-Base interactions energy: -165.463
where: short stacking energy: -88.009
Base-Backbone interact. energy: -1.125
local terms energy: -110.594841
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -26.428
flat angles C4'-P-C4' energy: -25.823
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -223.393893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.393893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.393893 (E_RNA)
where:
Base-Base interactions energy: -127.489
where: short stacking energy: -65.504
Base-Backbone interact. energy: -0.994
local terms energy: -94.910432
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -26.321
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -14.081
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: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -139.854189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.854189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.854189 (E_RNA)
where:
Base-Base interactions energy: -64.982
where: short stacking energy: -62.417
Base-Backbone interact. energy: 0.152
local terms energy: -75.024323
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -14.506
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: 10, replica: 7
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -125.828998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.828998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.828998 (E_RNA)
where:
Base-Base interactions energy: -51.224
where: short stacking energy: -51.119
Base-Backbone interact. energy: -0.432
local terms energy: -74.172390
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -14.598
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -416.391722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.391722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.391722 (E_RNA)
where:
Base-Base interactions energy: -286.639
where: short stacking energy: -129.057
Base-Backbone interact. energy: 1.007
local terms energy: -130.759272
where:
bonds (distance) C4'-P energy: -24.625
bonds (distance) P-C4' energy: -26.224
flat angles C4'-P-C4' energy: -27.046
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -33.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -400.089129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.089129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.089129 (E_RNA)
where:
Base-Base interactions energy: -262.874
where: short stacking energy: -126.251
Base-Backbone interact. energy: -0.048
local terms energy: -137.167261
where:
bonds (distance) C4'-P energy: -20.469
bonds (distance) P-C4' energy: -25.959
flat angles C4'-P-C4' energy: -27.453
flat angles P-C4'-P energy: -20.570
tors. eta vs tors. theta energy: -42.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -394.547347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.547347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.547347 (E_RNA)
where:
Base-Base interactions energy: -255.916
where: short stacking energy: -122.838
Base-Backbone interact. energy: 0.846
local terms energy: -139.477712
where:
bonds (distance) C4'-P energy: -23.759
bonds (distance) P-C4' energy: -28.246
flat angles C4'-P-C4' energy: -27.716
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -36.385
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: 8
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -330.712390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.712390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.712390 (E_RNA)
where:
Base-Base interactions energy: -200.992
where: short stacking energy: -123.463
Base-Backbone interact. energy: -0.006
local terms energy: -129.714096
where:
bonds (distance) C4'-P energy: -24.543
bonds (distance) P-C4' energy: -26.348
flat angles C4'-P-C4' energy: -28.309
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -31.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -331.258511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.258511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.258511 (E_RNA)
where:
Base-Base interactions energy: -211.152
where: short stacking energy: -111.667
Base-Backbone interact. energy: 0.089
local terms energy: -120.195456
where:
bonds (distance) C4'-P energy: -23.764
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -26.967
flat angles P-C4'-P energy: -18.622
tors. eta vs tors. theta energy: -28.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -282.281349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.281349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.281349 (E_RNA)
where:
Base-Base interactions energy: -176.361
where: short stacking energy: -94.798
Base-Backbone interact. energy: -0.245
local terms energy: -105.675320
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -25.233
flat angles C4'-P-C4' energy: -22.759
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -27.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -258.007491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.007491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.007491 (E_RNA)
where:
Base-Base interactions energy: -163.216
where: short stacking energy: -81.281
Base-Backbone interact. energy: -0.722
local terms energy: -94.069247
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -22.041
flat angles C4'-P-C4' energy: -28.382
flat angles P-C4'-P energy: -14.060
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: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -232.372060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.372060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.372060 (E_RNA)
where:
Base-Base interactions energy: -131.705
where: short stacking energy: -69.795
Base-Backbone interact. energy: -0.774
local terms energy: -99.893207
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -28.565
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -16.246
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -138.478580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.478580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.478580 (E_RNA)
where:
Base-Base interactions energy: -55.206
where: short stacking energy: -52.887
Base-Backbone interact. energy: -0.175
local terms energy: -83.097073
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -116.642417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.642417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.642417 (E_RNA)
where:
Base-Base interactions energy: -35.531
where: short stacking energy: -31.054
Base-Backbone interact. energy: -0.356
local terms energy: -80.755852
where:
bonds (distance) C4'-P energy: -21.425
bonds (distance) P-C4' energy: -25.712
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -17.839
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -411.278690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.278690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.278690 (E_RNA)
where:
Base-Base interactions energy: -274.438
where: short stacking energy: -144.836
Base-Backbone interact. energy: 2.054
local terms energy: -138.894058
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -28.105
flat angles C4'-P-C4' energy: -28.099
flat angles P-C4'-P energy: -19.425
tors. eta vs tors. theta energy: -40.796
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: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -407.374352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.374352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.374352 (E_RNA)
where:
Base-Base interactions energy: -262.505
where: short stacking energy: -131.698
Base-Backbone interact. energy: -0.734
local terms energy: -144.135865
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -27.003
flat angles C4'-P-C4' energy: -30.273
flat angles P-C4'-P energy: -21.931
tors. eta vs tors. theta energy: -37.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -391.485525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.485525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.485525 (E_RNA)
where:
Base-Base interactions energy: -254.487
where: short stacking energy: -134.108
Base-Backbone interact. energy: -1.906
local terms energy: -135.091823
where:
bonds (distance) C4'-P energy: -21.804
bonds (distance) P-C4' energy: -24.640
flat angles C4'-P-C4' energy: -30.295
flat angles P-C4'-P energy: -22.249
tors. eta vs tors. theta energy: -36.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -317.882447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.882447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.882447 (E_RNA)
where:
Base-Base interactions energy: -185.626
where: short stacking energy: -113.355
Base-Backbone interact. energy: -0.646
local terms energy: -131.610103
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -24.104
flat angles C4'-P-C4' energy: -29.208
flat angles P-C4'-P energy: -18.377
tors. eta vs tors. theta energy: -34.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -318.998714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.998714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.998714 (E_RNA)
where:
Base-Base interactions energy: -195.398
where: short stacking energy: -118.141
Base-Backbone interact. energy: -0.025
local terms energy: -123.574930
where:
bonds (distance) C4'-P energy: -23.085
bonds (distance) P-C4' energy: -26.999
flat angles C4'-P-C4' energy: -30.830
flat angles P-C4'-P energy: -17.383
tors. eta vs tors. theta energy: -25.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -288.548651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.548651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.548651 (E_RNA)
where:
Base-Base interactions energy: -176.829
where: short stacking energy: -97.955
Base-Backbone interact. energy: -2.236
local terms energy: -109.483730
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -30.258
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -25.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -247.245416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.245416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.245416 (E_RNA)
where:
Base-Base interactions energy: -140.423
where: short stacking energy: -78.307
Base-Backbone interact. energy: -0.552
local terms energy: -106.270633
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -28.232
flat angles C4'-P-C4' energy: -25.107
flat angles P-C4'-P energy: -17.832
tors. eta vs tors. theta energy: -12.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -267.814449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.814449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.814449 (E_RNA)
where:
Base-Base interactions energy: -156.536
where: short stacking energy: -79.510
Base-Backbone interact. energy: -0.897
local terms energy: -110.381188
where:
bonds (distance) C4'-P energy: -26.119
bonds (distance) P-C4' energy: -25.153
flat angles C4'-P-C4' energy: -23.085
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -24.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -131.866755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.866755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.866755 (E_RNA)
where:
Base-Base interactions energy: -55.708
where: short stacking energy: -51.390
Base-Backbone interact. energy: 0.011
local terms energy: -76.170509
where:
bonds (distance) C4'-P energy: -18.954
bonds (distance) P-C4' energy: -26.058
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -7.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -122.325384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.325384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.325384 (E_RNA)
where:
Base-Base interactions energy: -50.313
where: short stacking energy: -50.313
Base-Backbone interact. energy: 1.080
local terms energy: -73.092867
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -16.029
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -401.663596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.663596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.663596 (E_RNA)
where:
Base-Base interactions energy: -259.075
where: short stacking energy: -138.153
Base-Backbone interact. energy: -0.012
local terms energy: -142.577094
where:
bonds (distance) C4'-P energy: -23.568
bonds (distance) P-C4' energy: -24.943
flat angles C4'-P-C4' energy: -31.658
flat angles P-C4'-P energy: -20.037
tors. eta vs tors. theta energy: -42.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -403.420405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.420405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.420405 (E_RNA)
where:
Base-Base interactions energy: -269.537
where: short stacking energy: -133.759
Base-Backbone interact. energy: -1.272
local terms energy: -132.611224
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -23.777
flat angles C4'-P-C4' energy: -26.460
flat angles P-C4'-P energy: -22.647
tors. eta vs tors. theta energy: -39.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -377.927157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.927157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.927157 (E_RNA)
where:
Base-Base interactions energy: -249.724
where: short stacking energy: -123.691
Base-Backbone interact. energy: -0.085
local terms energy: -128.118468
where:
bonds (distance) C4'-P energy: -25.947
bonds (distance) P-C4' energy: -24.072
flat angles C4'-P-C4' energy: -27.787
flat angles P-C4'-P energy: -19.106
tors. eta vs tors. theta energy: -31.207
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: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -335.981042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.981042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.981042 (E_RNA)
where:
Base-Base interactions energy: -210.405
where: short stacking energy: -117.444
Base-Backbone interact. energy: -0.871
local terms energy: -124.704289
where:
bonds (distance) C4'-P energy: -29.987
bonds (distance) P-C4' energy: -24.883
flat angles C4'-P-C4' energy: -26.576
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -29.999
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: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -277.605863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.605863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.605863 (E_RNA)
where:
Base-Base interactions energy: -161.148
where: short stacking energy: -89.266
Base-Backbone interact. energy: 0.385
local terms energy: -116.842913
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -27.355
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -24.488
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: 6, replica: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -283.428037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.428037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.428037 (E_RNA)
where:
Base-Base interactions energy: -170.525
where: short stacking energy: -90.770
Base-Backbone interact. energy: -1.768
local terms energy: -111.134993
where:
bonds (distance) C4'-P energy: -23.064
bonds (distance) P-C4' energy: -25.109
flat angles C4'-P-C4' energy: -24.690
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -244.359617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.359617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.359617 (E_RNA)
where:
Base-Base interactions energy: -144.224
where: short stacking energy: -78.702
Base-Backbone interact. energy: -1.304
local terms energy: -98.831060
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -30.606
flat angles C4'-P-C4' energy: -24.630
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -12.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -232.280890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.280890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.280890 (E_RNA)
where:
Base-Base interactions energy: -151.574
where: short stacking energy: -72.320
Base-Backbone interact. energy: 0.460
local terms energy: -81.166238
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -14.526
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: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -138.124272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.124272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.124272 (E_RNA)
where:
Base-Base interactions energy: -49.808
where: short stacking energy: -49.808
Base-Backbone interact. energy: -0.181
local terms energy: -88.135823
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -30.971
flat angles C4'-P-C4' energy: -20.511
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -130.663065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.663065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.663065 (E_RNA)
where:
Base-Base interactions energy: -53.141
where: short stacking energy: -46.262
Base-Backbone interact. energy: 0.783
local terms energy: -78.304284
where:
bonds (distance) C4'-P energy: -19.839
bonds (distance) P-C4' energy: -24.422
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -3.346
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -406.982290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.982290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.982290 (E_RNA)
where:
Base-Base interactions energy: -282.988
where: short stacking energy: -142.278
Base-Backbone interact. energy: -0.825
local terms energy: -123.169888
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -25.507
flat angles P-C4'-P energy: -18.885
tors. eta vs tors. theta energy: -35.590
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: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -415.503662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.503662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.503662 (E_RNA)
where:
Base-Base interactions energy: -275.932
where: short stacking energy: -144.395
Base-Backbone interact. energy: -0.156
local terms energy: -139.415423
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -26.693
flat angles C4'-P-C4' energy: -30.611
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: -43.293
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: 3, replica: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -390.994961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.994961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.994961 (E_RNA)
where:
Base-Base interactions energy: -269.010
where: short stacking energy: -123.580
Base-Backbone interact. energy: -0.308
local terms energy: -121.676922
where:
bonds (distance) C4'-P energy: -23.456
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -28.628
flat angles P-C4'-P energy: -18.355
tors. eta vs tors. theta energy: -29.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -339.745049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.745049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.745049 (E_RNA)
where:
Base-Base interactions energy: -206.641
where: short stacking energy: -109.584
Base-Backbone interact. energy: 0.041
local terms energy: -133.145464
where:
bonds (distance) C4'-P energy: -26.037
bonds (distance) P-C4' energy: -28.280
flat angles C4'-P-C4' energy: -26.635
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -32.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -292.858748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.858748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.858748 (E_RNA)
where:
Base-Base interactions energy: -169.072
where: short stacking energy: -105.997
Base-Backbone interact. energy: -0.486
local terms energy: -123.300754
where:
bonds (distance) C4'-P energy: -23.650
bonds (distance) P-C4' energy: -27.364
flat angles C4'-P-C4' energy: -22.532
flat angles P-C4'-P energy: -19.660
tors. eta vs tors. theta energy: -30.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -289.026811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.026811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.026811 (E_RNA)
where:
Base-Base interactions energy: -178.297
where: short stacking energy: -96.339
Base-Backbone interact. energy: -0.738
local terms energy: -109.991893
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -27.788
flat angles C4'-P-C4' energy: -23.513
flat angles P-C4'-P energy: -20.276
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -259.597079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.597079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.597079 (E_RNA)
where:
Base-Base interactions energy: -158.903
where: short stacking energy: -88.410
Base-Backbone interact. energy: -1.232
local terms energy: -99.461835
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -28.213
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -23.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -184.280313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.280313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.280313 (E_RNA)
where:
Base-Base interactions energy: -103.350
where: short stacking energy: -49.726
Base-Backbone interact. energy: 0.553
local terms energy: -81.482868
where:
bonds (distance) C4'-P energy: -19.411
bonds (distance) P-C4' energy: -24.515
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -12.930
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: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -129.249102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.249102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.249102 (E_RNA)
where:
Base-Base interactions energy: -45.437
where: short stacking energy: -43.948
Base-Backbone interact. energy: 0.127
local terms energy: -83.938818
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -31.843
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -118.864418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.864418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.864418 (E_RNA)
where:
Base-Base interactions energy: -42.244
where: short stacking energy: -26.968
Base-Backbone interact. energy: -0.052
local terms energy: -76.568616
where:
bonds (distance) C4'-P energy: -23.707
bonds (distance) P-C4' energy: -25.701
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: 4.708
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -407.890053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.890053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.890053 (E_RNA)
where:
Base-Base interactions energy: -266.570
where: short stacking energy: -138.912
Base-Backbone interact. energy: -1.254
local terms energy: -140.066888
where:
bonds (distance) C4'-P energy: -27.548
bonds (distance) P-C4' energy: -24.587
flat angles C4'-P-C4' energy: -30.106
flat angles P-C4'-P energy: -19.529
tors. eta vs tors. theta energy: -38.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -408.767294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.767294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.767294 (E_RNA)
where:
Base-Base interactions energy: -276.501
where: short stacking energy: -129.533
Base-Backbone interact. energy: -0.281
local terms energy: -131.984834
where:
bonds (distance) C4'-P energy: -20.671
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -31.276
flat angles P-C4'-P energy: -21.022
tors. eta vs tors. theta energy: -41.224
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: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -377.286711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.286711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.286711 (E_RNA)
where:
Base-Base interactions energy: -248.373
where: short stacking energy: -126.853
Base-Backbone interact. energy: -0.632
local terms energy: -128.280883
where:
bonds (distance) C4'-P energy: -22.099
bonds (distance) P-C4' energy: -23.348
flat angles C4'-P-C4' energy: -26.681
flat angles P-C4'-P energy: -21.865
tors. eta vs tors. theta energy: -34.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -332.473042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.473042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.473042 (E_RNA)
where:
Base-Base interactions energy: -202.694
where: short stacking energy: -122.419
Base-Backbone interact. energy: -1.166
local terms energy: -128.613246
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -28.519
flat angles C4'-P-C4' energy: -27.732
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -33.724
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: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -319.507218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.507218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.507218 (E_RNA)
where:
Base-Base interactions energy: -199.646
where: short stacking energy: -98.869
Base-Backbone interact. energy: -0.623
local terms energy: -119.238521
where:
bonds (distance) C4'-P energy: -24.004
bonds (distance) P-C4' energy: -26.558
flat angles C4'-P-C4' energy: -27.832
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -25.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -259.887677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.887677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.887677 (E_RNA)
where:
Base-Base interactions energy: -157.071
where: short stacking energy: -86.038
Base-Backbone interact. energy: -0.307
local terms energy: -102.509984
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -29.302
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -278.422078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.422078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.422078 (E_RNA)
where:
Base-Base interactions energy: -171.082
where: short stacking energy: -87.518
Base-Backbone interact. energy: -2.450
local terms energy: -104.890275
where:
bonds (distance) C4'-P energy: -26.140
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -14.074
tors. eta vs tors. theta energy: -20.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -143.508929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.508929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.508929 (E_RNA)
where:
Base-Base interactions energy: -57.453
where: short stacking energy: -54.161
Base-Backbone interact. energy: -0.553
local terms energy: -85.502916
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -28.876
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -9.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -130.532920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.532920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.532920 (E_RNA)
where:
Base-Base interactions energy: -43.584
where: short stacking energy: -34.124
Base-Backbone interact. energy: -0.110
local terms energy: -86.839359
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -26.070
flat angles C4'-P-C4' energy: -26.218
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: 0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -131.037429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.037429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.037429 (E_RNA)
where:
Base-Base interactions energy: -43.913
where: short stacking energy: -42.398
Base-Backbone interact. energy: -0.732
local terms energy: -86.392215
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -25.476
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -15.290
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -412.770067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.770067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.770067 (E_RNA)
where:
Base-Base interactions energy: -275.341
where: short stacking energy: -136.465
Base-Backbone interact. energy: -1.128
local terms energy: -136.301108
where:
bonds (distance) C4'-P energy: -26.964
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -22.882
flat angles P-C4'-P energy: -23.040
tors. eta vs tors. theta energy: -40.362
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: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -413.784842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.784842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.784842 (E_RNA)
where:
Base-Base interactions energy: -277.744
where: short stacking energy: -137.877
Base-Backbone interact. energy: -0.632
local terms energy: -135.408891
where:
bonds (distance) C4'-P energy: -25.502
bonds (distance) P-C4' energy: -26.938
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -41.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -393.455553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.455553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.455553 (E_RNA)
where:
Base-Base interactions energy: -260.297
where: short stacking energy: -125.593
Base-Backbone interact. energy: -0.639
local terms energy: -132.519683
where:
bonds (distance) C4'-P energy: -24.357
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -27.446
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: -38.409
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: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -307.746149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.746149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.746149 (E_RNA)
where:
Base-Base interactions energy: -191.579
where: short stacking energy: -107.540
Base-Backbone interact. energy: 0.174
local terms energy: -116.341541
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -28.535
flat angles C4'-P-C4' energy: -26.804
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -31.259
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: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -328.057201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.057201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.057201 (E_RNA)
where:
Base-Base interactions energy: -202.481
where: short stacking energy: -105.438
Base-Backbone interact. energy: -0.331
local terms energy: -125.245833
where:
bonds (distance) C4'-P energy: -22.736
bonds (distance) P-C4' energy: -25.787
flat angles C4'-P-C4' energy: -29.133
flat angles P-C4'-P energy: -18.580
tors. eta vs tors. theta energy: -29.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -238.543751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.543751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.543751 (E_RNA)
where:
Base-Base interactions energy: -143.286
where: short stacking energy: -73.959
Base-Backbone interact. energy: -0.354
local terms energy: -94.904531
where:
bonds (distance) C4'-P energy: -22.405
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -25.943
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -265.437988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.437988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.437988 (E_RNA)
where:
Base-Base interactions energy: -146.644
where: short stacking energy: -79.253
Base-Backbone interact. energy: -1.250
local terms energy: -117.543158
where:
bonds (distance) C4'-P energy: -28.959
bonds (distance) P-C4' energy: -26.036
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -14.859
tors. eta vs tors. theta energy: -25.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -131.942965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.942965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.942965 (E_RNA)
where:
Base-Base interactions energy: -48.821
where: short stacking energy: -34.957
Base-Backbone interact. energy: -1.977
local terms energy: -81.145217
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -24.910
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -10.135
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: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -132.560199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.560199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.560199 (E_RNA)
where:
Base-Base interactions energy: -43.494
where: short stacking energy: -37.955
Base-Backbone interact. energy: -0.336
local terms energy: -88.730376
where:
bonds (distance) C4'-P energy: -27.154
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -13.826
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: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -131.455616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.455616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.455616 (E_RNA)
where:
Base-Base interactions energy: -56.581
where: short stacking energy: -42.848
Base-Backbone interact. energy: -0.437
local terms energy: -74.437404
where:
bonds (distance) C4'-P energy: -19.303
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -5.785
tors. eta vs tors. theta energy: -6.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -416.376018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.376018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.376018 (E_RNA)
where:
Base-Base interactions energy: -275.635
where: short stacking energy: -140.833
Base-Backbone interact. energy: 1.710
local terms energy: -142.451044
where:
bonds (distance) C4'-P energy: -27.893
bonds (distance) P-C4' energy: -25.763
flat angles C4'-P-C4' energy: -28.291
flat angles P-C4'-P energy: -22.189
tors. eta vs tors. theta energy: -38.315
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: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -404.547896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.547896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.547896 (E_RNA)
where:
Base-Base interactions energy: -264.982
where: short stacking energy: -136.465
Base-Backbone interact. energy: -0.056
local terms energy: -139.509543
where:
bonds (distance) C4'-P energy: -24.528
bonds (distance) P-C4' energy: -28.978
flat angles C4'-P-C4' energy: -28.603
flat angles P-C4'-P energy: -17.693
tors. eta vs tors. theta energy: -39.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -394.154274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.154274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.154274 (E_RNA)
where:
Base-Base interactions energy: -262.296
where: short stacking energy: -129.162
Base-Backbone interact. energy: -0.472
local terms energy: -131.386185
where:
bonds (distance) C4'-P energy: -25.707
bonds (distance) P-C4' energy: -22.619
flat angles C4'-P-C4' energy: -28.883
flat angles P-C4'-P energy: -19.578
tors. eta vs tors. theta energy: -34.598
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: 4, replica: 9
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -350.011113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.011113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.011113 (E_RNA)
where:
Base-Base interactions energy: -221.262
where: short stacking energy: -124.137
Base-Backbone interact. energy: -0.408
local terms energy: -128.340811
where:
bonds (distance) C4'-P energy: -22.730
bonds (distance) P-C4' energy: -25.164
flat angles C4'-P-C4' energy: -24.933
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -39.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -305.315150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.315150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.315150 (E_RNA)
where:
Base-Base interactions energy: -186.932
where: short stacking energy: -103.391
Base-Backbone interact. energy: -0.574
local terms energy: -117.809202
where:
bonds (distance) C4'-P energy: -24.314
bonds (distance) P-C4' energy: -24.612
flat angles C4'-P-C4' energy: -24.685
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -34.845
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: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -265.861921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.861921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.861921 (E_RNA)
where:
Base-Base interactions energy: -161.097
where: short stacking energy: -80.157
Base-Backbone interact. energy: -1.049
local terms energy: -103.715520
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -24.650
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -24.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -249.501751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.501751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.501751 (E_RNA)
where:
Base-Base interactions energy: -151.573
where: short stacking energy: -81.206
Base-Backbone interact. energy: -0.058
local terms energy: -97.871100
where:
bonds (distance) C4'-P energy: -22.737
bonds (distance) P-C4' energy: -28.257
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -16.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -180.269552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.269552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.269552 (E_RNA)
where:
Base-Base interactions energy: -89.943
where: short stacking energy: -55.839
Base-Backbone interact. energy: -0.154
local terms energy: -90.172719
where:
bonds (distance) C4'-P energy: -26.653
bonds (distance) P-C4' energy: -22.146
flat angles C4'-P-C4' energy: -21.698
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -11.891
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: 195
Temperature: 1.300000
Total energy: -118.865568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.865568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.865568 (E_RNA)
where:
Base-Base interactions energy: -41.286
where: short stacking energy: -41.286
Base-Backbone interact. energy: -0.245
local terms energy: -77.334193
where:
bonds (distance) C4'-P energy: -22.398
bonds (distance) P-C4' energy: -23.994
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -5.219
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: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -124.532851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.532851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.532851 (E_RNA)
where:
Base-Base interactions energy: -52.777
where: short stacking energy: -24.640
Base-Backbone interact. energy: -0.721
local terms energy: -71.034193
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -25.057
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: 4.376
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -425.594083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.594083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.594083 (E_RNA)
where:
Base-Base interactions energy: -280.621
where: short stacking energy: -145.029
Base-Backbone interact. energy: -2.662
local terms energy: -142.310536
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -26.773
flat angles C4'-P-C4' energy: -28.845
flat angles P-C4'-P energy: -19.733
tors. eta vs tors. theta energy: -42.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -411.155714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.155714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.155714 (E_RNA)
where:
Base-Base interactions energy: -276.155
where: short stacking energy: -128.908
Base-Backbone interact. energy: -0.283
local terms energy: -134.717500
where:
bonds (distance) C4'-P energy: -23.963
bonds (distance) P-C4' energy: -22.316
flat angles C4'-P-C4' energy: -28.067
flat angles P-C4'-P energy: -19.426
tors. eta vs tors. theta energy: -40.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -392.192132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.192132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.192132 (E_RNA)
where:
Base-Base interactions energy: -259.770
where: short stacking energy: -128.075
Base-Backbone interact. energy: -0.439
local terms energy: -131.982454
where:
bonds (distance) C4'-P energy: -25.185
bonds (distance) P-C4' energy: -27.962
flat angles C4'-P-C4' energy: -27.110
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -37.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -336.142433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.142433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.142433 (E_RNA)
where:
Base-Base interactions energy: -209.069
where: short stacking energy: -111.963
Base-Backbone interact. energy: -0.888
local terms energy: -126.186371
where:
bonds (distance) C4'-P energy: -26.484
bonds (distance) P-C4' energy: -24.011
flat angles C4'-P-C4' energy: -24.790
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -33.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -295.723150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.723150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.723150 (E_RNA)
where:
Base-Base interactions energy: -185.943
where: short stacking energy: -103.616
Base-Backbone interact. energy: 0.455
local terms energy: -110.235635
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -22.504
flat angles C4'-P-C4' energy: -21.571
flat angles P-C4'-P energy: -24.415
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -268.328694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.328694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.328694 (E_RNA)
where:
Base-Base interactions energy: -155.760
where: short stacking energy: -93.787
Base-Backbone interact. energy: 0.485
local terms energy: -113.052863
where:
bonds (distance) C4'-P energy: -25.585
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -28.262
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -270.231813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.231813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.231813 (E_RNA)
where:
Base-Base interactions energy: -170.145
where: short stacking energy: -95.073
Base-Backbone interact. energy: -0.516
local terms energy: -99.571497
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -23.453
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -149.177466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.177466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.177466 (E_RNA)
where:
Base-Base interactions energy: -68.031
where: short stacking energy: -49.935
Base-Backbone interact. energy: -0.799
local terms energy: -80.347714
where:
bonds (distance) C4'-P energy: -19.109
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -134.297978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.297978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.297978 (E_RNA)
where:
Base-Base interactions energy: -53.112
where: short stacking energy: -39.475
Base-Backbone interact. energy: 0.208
local terms energy: -81.393429
where:
bonds (distance) C4'-P energy: -26.476
bonds (distance) P-C4' energy: -27.375
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -1.802
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: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -122.513834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.513834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.513834 (E_RNA)
where:
Base-Base interactions energy: -50.854
where: short stacking energy: -49.749
Base-Backbone interact. energy: 1.586
local terms energy: -73.245762
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -28.380
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -8.839
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -412.687595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.687595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.687595 (E_RNA)
where:
Base-Base interactions energy: -274.921
where: short stacking energy: -137.341
Base-Backbone interact. energy: -1.284
local terms energy: -136.482876
where:
bonds (distance) C4'-P energy: -25.747
bonds (distance) P-C4' energy: -25.183
flat angles C4'-P-C4' energy: -25.122
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -39.335
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: 2
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -407.085235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.085235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.085235 (E_RNA)
where:
Base-Base interactions energy: -267.907
where: short stacking energy: -129.405
Base-Backbone interact. energy: -0.030
local terms energy: -139.148078
where:
bonds (distance) C4'-P energy: -26.021
bonds (distance) P-C4' energy: -24.686
flat angles C4'-P-C4' energy: -26.485
flat angles P-C4'-P energy: -16.649
tors. eta vs tors. theta energy: -45.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -392.697704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.697704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.697704 (E_RNA)
where:
Base-Base interactions energy: -260.936
where: short stacking energy: -135.815
Base-Backbone interact. energy: -0.314
local terms energy: -131.447839
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -26.310
flat angles C4'-P-C4' energy: -28.378
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: -37.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -333.763701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.763701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.763701 (E_RNA)
where:
Base-Base interactions energy: -215.681
where: short stacking energy: -116.323
Base-Backbone interact. energy: -0.746
local terms energy: -117.336780
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -28.653
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -32.531
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: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -310.664844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.664844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.664844 (E_RNA)
where:
Base-Base interactions energy: -186.216
where: short stacking energy: -112.012
Base-Backbone interact. energy: -0.026
local terms energy: -124.423310
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -26.304
flat angles P-C4'-P energy: -19.091
tors. eta vs tors. theta energy: -33.203
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: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -255.834485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.834485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.834485 (E_RNA)
where:
Base-Base interactions energy: -152.130
where: short stacking energy: -87.946
Base-Backbone interact. energy: 1.652
local terms energy: -105.356708
where:
bonds (distance) C4'-P energy: -24.283
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -26.752
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -20.031
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: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -260.639593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.639593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.639593 (E_RNA)
where:
Base-Base interactions energy: -155.034
where: short stacking energy: -82.627
Base-Backbone interact. energy: -0.074
local terms energy: -105.532096
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -26.014
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -163.118181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.118181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.118181 (E_RNA)
where:
Base-Base interactions energy: -77.554
where: short stacking energy: -67.333
Base-Backbone interact. energy: 0.283
local terms energy: -85.847794
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -26.284
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -4.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -139.314115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.314115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.314115 (E_RNA)
where:
Base-Base interactions energy: -49.425
where: short stacking energy: -48.493
Base-Backbone interact. energy: -0.349
local terms energy: -89.540177
where:
bonds (distance) C4'-P energy: -28.110
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -23.713
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -118.537094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.537094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.537094 (E_RNA)
where:
Base-Base interactions energy: -45.735
where: short stacking energy: -43.556
Base-Backbone interact. energy: 6.288
local terms energy: -79.090247
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -28.797
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -11.499
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -407.008650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.008650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.008650 (E_RNA)
where:
Base-Base interactions energy: -267.199
where: short stacking energy: -133.391
Base-Backbone interact. energy: -1.326
local terms energy: -138.483562
where:
bonds (distance) C4'-P energy: -24.721
bonds (distance) P-C4' energy: -27.739
flat angles C4'-P-C4' energy: -25.504
flat angles P-C4'-P energy: -22.095
tors. eta vs tors. theta energy: -38.425
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: 198
Temperature: 0.950000
Total energy: -403.309539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.309539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.309539 (E_RNA)
where:
Base-Base interactions energy: -263.857
where: short stacking energy: -136.223
Base-Backbone interact. energy: -0.281
local terms energy: -139.171431
where:
bonds (distance) C4'-P energy: -24.824
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -30.549
flat angles P-C4'-P energy: -21.056
tors. eta vs tors. theta energy: -42.736
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: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -395.339777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.339777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.339777 (E_RNA)
where:
Base-Base interactions energy: -249.676
where: short stacking energy: -124.127
Base-Backbone interact. energy: -0.206
local terms energy: -145.457933
where:
bonds (distance) C4'-P energy: -25.371
bonds (distance) P-C4' energy: -25.933
flat angles C4'-P-C4' energy: -29.856
flat angles P-C4'-P energy: -23.795
tors. eta vs tors. theta energy: -40.503
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: 4, replica: 9
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -329.866192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.866192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.866192 (E_RNA)
where:
Base-Base interactions energy: -206.038
where: short stacking energy: -108.148
Base-Backbone interact. energy: 0.917
local terms energy: -124.745769
where:
bonds (distance) C4'-P energy: -23.951
bonds (distance) P-C4' energy: -27.242
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -17.619
tors. eta vs tors. theta energy: -31.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -291.361385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.361385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.361385 (E_RNA)
where:
Base-Base interactions energy: -181.858
where: short stacking energy: -99.126
Base-Backbone interact. energy: -0.229
local terms energy: -109.274200
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -22.550
flat angles C4'-P-C4' energy: -23.229
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -27.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -245.430475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.430475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.430475 (E_RNA)
where:
Base-Base interactions energy: -142.495
where: short stacking energy: -88.637
Base-Backbone interact. energy: -0.081
local terms energy: -102.854688
where:
bonds (distance) C4'-P energy: -20.685
bonds (distance) P-C4' energy: -18.295
flat angles C4'-P-C4' energy: -25.954
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -21.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -261.348220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.348220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.348220 (E_RNA)
where:
Base-Base interactions energy: -158.811
where: short stacking energy: -94.526
Base-Backbone interact. energy: -0.038
local terms energy: -102.498999
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -24.350
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -18.031
tors. eta vs tors. theta energy: -21.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -158.535909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.535909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.535909 (E_RNA)
where:
Base-Base interactions energy: -78.860
where: short stacking energy: -68.711
Base-Backbone interact. energy: -0.208
local terms energy: -79.467762
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -27.241
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -151.297155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.297155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.297155 (E_RNA)
where:
Base-Base interactions energy: -57.454
where: short stacking energy: -54.119
Base-Backbone interact. energy: -0.774
local terms energy: -93.069430
where:
bonds (distance) C4'-P energy: -23.339
bonds (distance) P-C4' energy: -27.977
flat angles C4'-P-C4' energy: -26.413
flat angles P-C4'-P energy: -11.238
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: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -136.726064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.726064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.726064 (E_RNA)
where:
Base-Base interactions energy: -45.481
where: short stacking energy: -41.083
Base-Backbone interact. energy: 0.635
local terms energy: -91.879835
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: -2.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -409.068144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.068144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.068144 (E_RNA)
where:
Base-Base interactions energy: -262.407
where: short stacking energy: -141.965
Base-Backbone interact. energy: -1.525
local terms energy: -145.135560
where:
bonds (distance) C4'-P energy: -27.366
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -28.666
flat angles P-C4'-P energy: -20.267
tors. eta vs tors. theta energy: -42.473
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: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -391.951987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.951987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.951987 (E_RNA)
where:
Base-Base interactions energy: -260.617
where: short stacking energy: -127.216
Base-Backbone interact. energy: -0.049
local terms energy: -131.286315
where:
bonds (distance) C4'-P energy: -22.953
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -20.086
tors. eta vs tors. theta energy: -37.790
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: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -395.258149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.258149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.258149 (E_RNA)
where:
Base-Base interactions energy: -263.670
where: short stacking energy: -126.275
Base-Backbone interact. energy: -0.339
local terms energy: -131.249578
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -29.036
flat angles C4'-P-C4' energy: -27.199
flat angles P-C4'-P energy: -17.874
tors. eta vs tors. theta energy: -38.932
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: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -290.039508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.039508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.039508 (E_RNA)
where:
Base-Base interactions energy: -181.977
where: short stacking energy: -102.879
Base-Backbone interact. energy: -0.121
local terms energy: -107.941030
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -24.618
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -330.114782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.114782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.114782 (E_RNA)
where:
Base-Base interactions energy: -206.032
where: short stacking energy: -112.534
Base-Backbone interact. energy: 0.405
local terms energy: -124.486880
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -24.818
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -29.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -278.455625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.455625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.455625 (E_RNA)
where:
Base-Base interactions energy: -160.679
where: short stacking energy: -94.623
Base-Backbone interact. energy: 0.604
local terms energy: -118.380242
where:
bonds (distance) C4'-P energy: -27.820
bonds (distance) P-C4' energy: -26.428
flat angles C4'-P-C4' energy: -28.484
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -22.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -246.530577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.530577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.530577 (E_RNA)
where:
Base-Base interactions energy: -145.420
where: short stacking energy: -83.605
Base-Backbone interact. energy: -0.518
local terms energy: -100.592987
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -28.521
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -12.473
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: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -162.110237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.110237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.110237 (E_RNA)
where:
Base-Base interactions energy: -66.790
where: short stacking energy: -55.213
Base-Backbone interact. energy: -0.501
local terms energy: -94.819687
where:
bonds (distance) C4'-P energy: -25.655
bonds (distance) P-C4' energy: -25.990
flat angles C4'-P-C4' energy: -27.804
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -131.531511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.531511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.531511 (E_RNA)
where:
Base-Base interactions energy: -58.765
where: short stacking energy: -52.937
Base-Backbone interact. energy: -1.690
local terms energy: -71.076454
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -6.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -131.679401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.679401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.679401 (E_RNA)
where:
Base-Base interactions energy: -55.230
where: short stacking energy: -40.434
Base-Backbone interact. energy: -0.643
local terms energy: -75.806195
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -27.401
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -416.114641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.114641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.114641 (E_RNA)
where:
Base-Base interactions energy: -268.045
where: short stacking energy: -132.562
Base-Backbone interact. energy: -0.957
local terms energy: -147.112934
where:
bonds (distance) C4'-P energy: -25.602
bonds (distance) P-C4' energy: -29.189
flat angles C4'-P-C4' energy: -32.762
flat angles P-C4'-P energy: -20.126
tors. eta vs tors. theta energy: -39.435
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: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -400.681000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.681000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.681000 (E_RNA)
where:
Base-Base interactions energy: -257.502
where: short stacking energy: -133.567
Base-Backbone interact. energy: -0.406
local terms energy: -142.773207
where:
bonds (distance) C4'-P energy: -27.362
bonds (distance) P-C4' energy: -26.250
flat angles C4'-P-C4' energy: -27.006
flat angles P-C4'-P energy: -22.877
tors. eta vs tors. theta energy: -39.278
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: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -387.900546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.900546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.900546 (E_RNA)
where:
Base-Base interactions energy: -256.422
where: short stacking energy: -133.799
Base-Backbone interact. energy: -0.276
local terms energy: -131.202618
where:
bonds (distance) C4'-P energy: -24.447
bonds (distance) P-C4' energy: -29.005
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -40.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -296.477291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.477291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.477291 (E_RNA)
where:
Base-Base interactions energy: -175.582
where: short stacking energy: -109.641
Base-Backbone interact. energy: -0.226
local terms energy: -120.669279
where:
bonds (distance) C4'-P energy: -23.982
bonds (distance) P-C4' energy: -25.443
flat angles C4'-P-C4' energy: -26.143
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -30.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -328.520321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.520321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.520321 (E_RNA)
where:
Base-Base interactions energy: -213.692
where: short stacking energy: -128.601
Base-Backbone interact. energy: -0.357
local terms energy: -114.470923
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -30.572
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -31.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -264.379563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.379563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.379563 (E_RNA)
where:
Base-Base interactions energy: -165.877
where: short stacking energy: -85.271
Base-Backbone interact. energy: -0.659
local terms energy: -97.843214
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -27.416
flat angles C4'-P-C4' energy: -25.705
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -253.344127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.344127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.344127 (E_RNA)
where:
Base-Base interactions energy: -150.110
where: short stacking energy: -79.602
Base-Backbone interact. energy: 0.292
local terms energy: -103.526318
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -27.861
flat angles C4'-P-C4' energy: -26.136
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -10.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -166.975161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.975161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.975161 (E_RNA)
where:
Base-Base interactions energy: -65.322
where: short stacking energy: -61.188
Base-Backbone interact. energy: -0.391
local terms energy: -101.262360
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -24.008
flat angles C4'-P-C4' energy: -26.566
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -9.094
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: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -131.985940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.985940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.985940 (E_RNA)
where:
Base-Base interactions energy: -47.386
where: short stacking energy: -44.635
Base-Backbone interact. energy: -0.598
local terms energy: -84.002650
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -26.613
flat angles P-C4'-P energy: -19.266
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: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -119.724107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.724107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.724107 (E_RNA)
where:
Base-Base interactions energy: -44.787
where: short stacking energy: -44.430
Base-Backbone interact. energy: -0.551
local terms energy: -74.386357
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -3.719
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -415.089278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.089278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.089278 (E_RNA)
where:
Base-Base interactions energy: -271.114
where: short stacking energy: -137.197
Base-Backbone interact. energy: 0.150
local terms energy: -144.125395
where:
bonds (distance) C4'-P energy: -26.908
bonds (distance) P-C4' energy: -27.269
flat angles C4'-P-C4' energy: -28.761
flat angles P-C4'-P energy: -23.220
tors. eta vs tors. theta energy: -37.968
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: 201
Temperature: 0.950000
Total energy: -396.439664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.439664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.439664 (E_RNA)
where:
Base-Base interactions energy: -257.475
where: short stacking energy: -129.051
Base-Backbone interact. energy: -0.603
local terms energy: -138.360909
where:
bonds (distance) C4'-P energy: -28.483
bonds (distance) P-C4' energy: -28.320
flat angles C4'-P-C4' energy: -27.028
flat angles P-C4'-P energy: -16.897
tors. eta vs tors. theta energy: -37.634
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: 3, replica: 4
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -404.896431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.896431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.896431 (E_RNA)
where:
Base-Base interactions energy: -275.574
where: short stacking energy: -142.377
Base-Backbone interact. energy: -0.241
local terms energy: -129.080690
where:
bonds (distance) C4'-P energy: -21.814
bonds (distance) P-C4' energy: -23.537
flat angles C4'-P-C4' energy: -27.959
flat angles P-C4'-P energy: -17.649
tors. eta vs tors. theta energy: -38.123
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: 9
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -328.488878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.488878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.488878 (E_RNA)
where:
Base-Base interactions energy: -211.494
where: short stacking energy: -108.509
Base-Backbone interact. energy: -0.557
local terms energy: -116.438187
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -26.984
flat angles C4'-P-C4' energy: -23.893
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -31.064
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: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -301.826481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.826481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.826481 (E_RNA)
where:
Base-Base interactions energy: -178.138
where: short stacking energy: -101.056
Base-Backbone interact. energy: -0.632
local terms energy: -123.055980
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -24.977
flat angles C4'-P-C4' energy: -27.735
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -32.864
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: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -272.201431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.201431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.201431 (E_RNA)
where:
Base-Base interactions energy: -174.448
where: short stacking energy: -94.728
Base-Backbone interact. energy: -0.693
local terms energy: -97.061156
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -23.429
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -257.821713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.821713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.821713 (E_RNA)
where:
Base-Base interactions energy: -156.812
where: short stacking energy: -79.813
Base-Backbone interact. energy: 0.221
local terms energy: -101.230326
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -20.733
flat angles C4'-P-C4' energy: -24.509
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -22.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -152.456754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.456754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.456754 (E_RNA)
where:
Base-Base interactions energy: -58.599
where: short stacking energy: -56.504
Base-Backbone interact. energy: 0.382
local terms energy: -94.239450
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -18.599
tors. eta vs tors. theta energy: -13.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -123.992379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.992379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.992379 (E_RNA)
where:
Base-Base interactions energy: -50.752
where: short stacking energy: -40.716
Base-Backbone interact. energy: -0.263
local terms energy: -72.977210
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -26.474
flat angles C4'-P-C4' energy: -22.785
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: 5.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -131.085842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.085842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.085842 (E_RNA)
where:
Base-Base interactions energy: -53.705
where: short stacking energy: -48.565
Base-Backbone interact. energy: 1.890
local terms energy: -79.271026
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -9.372
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -416.930765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.930765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.930765 (E_RNA)
where:
Base-Base interactions energy: -277.406
where: short stacking energy: -134.473
Base-Backbone interact. energy: -0.088
local terms energy: -139.437360
where:
bonds (distance) C4'-P energy: -28.278
bonds (distance) P-C4' energy: -23.101
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -23.213
tors. eta vs tors. theta energy: -40.501
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: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -395.162328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.162328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.162328 (E_RNA)
where:
Base-Base interactions energy: -256.933
where: short stacking energy: -125.704
Base-Backbone interact. energy: -3.333
local terms energy: -134.896905
where:
bonds (distance) C4'-P energy: -29.183
bonds (distance) P-C4' energy: -24.284
flat angles C4'-P-C4' energy: -25.781
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: -39.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -398.311939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.311939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.311939 (E_RNA)
where:
Base-Base interactions energy: -266.599
where: short stacking energy: -123.766
Base-Backbone interact. energy: -0.932
local terms energy: -130.780412
where:
bonds (distance) C4'-P energy: -22.787
bonds (distance) P-C4' energy: -27.145
flat angles C4'-P-C4' energy: -27.404
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -36.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -326.180322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.180322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.180322 (E_RNA)
where:
Base-Base interactions energy: -205.174
where: short stacking energy: -109.845
Base-Backbone interact. energy: -0.133
local terms energy: -120.873656
where:
bonds (distance) C4'-P energy: -26.136
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -27.209
flat angles P-C4'-P energy: -18.572
tors. eta vs tors. theta energy: -29.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -301.712483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.712483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.712483 (E_RNA)
where:
Base-Base interactions energy: -183.735
where: short stacking energy: -108.372
Base-Backbone interact. energy: -0.204
local terms energy: -117.774317
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -25.071
flat angles C4'-P-C4' energy: -25.587
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -28.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -287.632359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.632359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.632359 (E_RNA)
where:
Base-Base interactions energy: -166.908
where: short stacking energy: -90.552
Base-Backbone interact. energy: -0.786
local terms energy: -119.938449
where:
bonds (distance) C4'-P energy: -27.830
bonds (distance) P-C4' energy: -27.465
flat angles C4'-P-C4' energy: -25.055
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -25.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -247.477239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.477239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.477239 (E_RNA)
where:
Base-Base interactions energy: -146.906
where: short stacking energy: -78.639
Base-Backbone interact. energy: -0.629
local terms energy: -99.942246
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -21.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -159.429726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.429726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.429726 (E_RNA)
where:
Base-Base interactions energy: -79.242
where: short stacking energy: -51.739
Base-Backbone interact. energy: -0.554
local terms energy: -79.633581
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -8.975
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: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -147.074805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.074805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.074805 (E_RNA)
where:
Base-Base interactions energy: -56.174
where: short stacking energy: -52.803
Base-Backbone interact. energy: -0.509
local terms energy: -90.391727
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -24.872
flat angles P-C4'-P energy: -17.487
tors. eta vs tors. theta energy: -12.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -136.306324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.306324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.306324 (E_RNA)
where:
Base-Base interactions energy: -60.397
where: short stacking energy: -61.597
Base-Backbone interact. energy: -0.199
local terms energy: -75.710801
where:
bonds (distance) C4'-P energy: -22.320
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -22.210
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -11.942
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -419.151581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.151581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.151581 (E_RNA)
where:
Base-Base interactions energy: -281.342
where: short stacking energy: -143.193
Base-Backbone interact. energy: -0.006
local terms energy: -137.804064
where:
bonds (distance) C4'-P energy: -22.534
bonds (distance) P-C4' energy: -28.408
flat angles C4'-P-C4' energy: -28.686
flat angles P-C4'-P energy: -18.994
tors. eta vs tors. theta energy: -39.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -398.749285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.749285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.749285 (E_RNA)
where:
Base-Base interactions energy: -271.710
where: short stacking energy: -136.544
Base-Backbone interact. energy: -0.076
local terms energy: -126.963492
where:
bonds (distance) C4'-P energy: -25.476
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -15.825
tors. eta vs tors. theta energy: -39.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -384.328390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.328390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.328390 (E_RNA)
where:
Base-Base interactions energy: -251.948
where: short stacking energy: -108.443
Base-Backbone interact. energy: -1.090
local terms energy: -131.290636
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -26.720
flat angles C4'-P-C4' energy: -29.393
flat angles P-C4'-P energy: -18.904
tors. eta vs tors. theta energy: -33.064
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: 4, replica: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -346.960140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.960140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.960140 (E_RNA)
where:
Base-Base interactions energy: -212.439
where: short stacking energy: -108.425
Base-Backbone interact. energy: -0.542
local terms energy: -133.979121
where:
bonds (distance) C4'-P energy: -24.189
bonds (distance) P-C4' energy: -29.445
flat angles C4'-P-C4' energy: -27.431
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: -30.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -305.285975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.285975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.285975 (E_RNA)
where:
Base-Base interactions energy: -191.539
where: short stacking energy: -105.384
Base-Backbone interact. energy: -0.064
local terms energy: -113.682556
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -27.935
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -28.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -263.664528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.664528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.664528 (E_RNA)
where:
Base-Base interactions energy: -149.107
where: short stacking energy: -85.025
Base-Backbone interact. energy: -0.874
local terms energy: -113.683388
where:
bonds (distance) C4'-P energy: -26.079
bonds (distance) P-C4' energy: -27.858
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -262.200010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.200010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.200010 (E_RNA)
where:
Base-Base interactions energy: -162.298
where: short stacking energy: -87.864
Base-Backbone interact. energy: 0.773
local terms energy: -100.675437
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -22.114
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -24.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -157.899892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.899892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.899892 (E_RNA)
where:
Base-Base interactions energy: -67.998
where: short stacking energy: -60.246
Base-Backbone interact. energy: 0.694
local terms energy: -90.595124
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -25.442
flat angles C4'-P-C4' energy: -25.773
flat angles P-C4'-P energy: -13.848
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: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -151.685894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.685894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.685894 (E_RNA)
where:
Base-Base interactions energy: -59.484
where: short stacking energy: -59.210
Base-Backbone interact. energy: -0.922
local terms energy: -91.279276
where:
bonds (distance) C4'-P energy: -24.605
bonds (distance) P-C4' energy: -24.080
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -15.669
tors. eta vs tors. theta energy: -10.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -126.630287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.630287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.630287 (E_RNA)
where:
Base-Base interactions energy: -45.826
where: short stacking energy: -45.826
Base-Backbone interact. energy: -0.273
local terms energy: -80.530917
where:
bonds (distance) C4'-P energy: -26.411
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -5.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -413.290676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.290676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.290676 (E_RNA)
where:
Base-Base interactions energy: -282.157
where: short stacking energy: -136.884
Base-Backbone interact. energy: -0.512
local terms energy: -130.621557
where:
bonds (distance) C4'-P energy: -24.562
bonds (distance) P-C4' energy: -27.100
flat angles C4'-P-C4' energy: -25.227
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: -37.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -408.672127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.672127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.672127 (E_RNA)
where:
Base-Base interactions energy: -279.313
where: short stacking energy: -139.617
Base-Backbone interact. energy: -0.559
local terms energy: -128.800379
where:
bonds (distance) C4'-P energy: -22.924
bonds (distance) P-C4' energy: -17.680
flat angles C4'-P-C4' energy: -28.968
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -42.212
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: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -378.520124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.520124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.520124 (E_RNA)
where:
Base-Base interactions energy: -253.061
where: short stacking energy: -124.309
Base-Backbone interact. energy: -1.637
local terms energy: -123.821784
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -25.232
flat angles C4'-P-C4' energy: -27.578
flat angles P-C4'-P energy: -19.919
tors. eta vs tors. theta energy: -36.864
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: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -343.789033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.789033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.789033 (E_RNA)
where:
Base-Base interactions energy: -211.973
where: short stacking energy: -106.370
Base-Backbone interact. energy: -0.451
local terms energy: -131.364625
where:
bonds (distance) C4'-P energy: -27.942
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -27.212
flat angles P-C4'-P energy: -21.018
tors. eta vs tors. theta energy: -32.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -293.513923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.513923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.513923 (E_RNA)
where:
Base-Base interactions energy: -177.820
where: short stacking energy: -101.224
Base-Backbone interact. energy: -0.701
local terms energy: -114.992948
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -23.453
flat angles C4'-P-C4' energy: -25.041
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -24.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -244.246030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.246030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.246030 (E_RNA)
where:
Base-Base interactions energy: -134.031
where: short stacking energy: -74.169
Base-Backbone interact. energy: -1.000
local terms energy: -109.214422
where:
bonds (distance) C4'-P energy: -20.275
bonds (distance) P-C4' energy: -29.069
flat angles C4'-P-C4' energy: -28.133
flat angles P-C4'-P energy: -17.913
tors. eta vs tors. theta energy: -13.824
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: 7, replica: 8
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -235.757250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.757250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.757250 (E_RNA)
where:
Base-Base interactions energy: -133.881
where: short stacking energy: -75.091
Base-Backbone interact. energy: -0.340
local terms energy: -101.536172
where:
bonds (distance) C4'-P energy: -24.898
bonds (distance) P-C4' energy: -26.717
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -12.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -144.397963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.397963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.397963 (E_RNA)
where:
Base-Base interactions energy: -49.829
where: short stacking energy: -42.393
Base-Backbone interact. energy: 0.013
local terms energy: -94.582020
where:
bonds (distance) C4'-P energy: -25.177
bonds (distance) P-C4' energy: -27.579
flat angles C4'-P-C4' energy: -22.804
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -141.858096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.858096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.858096 (E_RNA)
where:
Base-Base interactions energy: -52.207
where: short stacking energy: -52.207
Base-Backbone interact. energy: -0.300
local terms energy: -89.351582
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -26.296
flat angles C4'-P-C4' energy: -21.808
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -9.976
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: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -145.932148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.932148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.932148 (E_RNA)
where:
Base-Base interactions energy: -64.772
where: short stacking energy: -62.259
Base-Backbone interact. energy: -0.452
local terms energy: -80.708717
where:
bonds (distance) C4'-P energy: -23.711
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -21.680
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -9.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -421.585525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.585525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.585525 (E_RNA)
where:
Base-Base interactions energy: -288.185
where: short stacking energy: -142.768
Base-Backbone interact. energy: -1.176
local terms energy: -132.224015
where:
bonds (distance) C4'-P energy: -25.811
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -26.673
flat angles P-C4'-P energy: -19.336
tors. eta vs tors. theta energy: -36.697
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: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -417.463388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.463388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.463388 (E_RNA)
where:
Base-Base interactions energy: -275.727
where: short stacking energy: -143.118
Base-Backbone interact. energy: -0.598
local terms energy: -141.138332
where:
bonds (distance) C4'-P energy: -22.776
bonds (distance) P-C4' energy: -23.851
flat angles C4'-P-C4' energy: -30.786
flat angles P-C4'-P energy: -19.374
tors. eta vs tors. theta energy: -44.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -384.356845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.356845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.356845 (E_RNA)
where:
Base-Base interactions energy: -254.050
where: short stacking energy: -108.630
Base-Backbone interact. energy: -1.495
local terms energy: -128.811525
where:
bonds (distance) C4'-P energy: -26.521
bonds (distance) P-C4' energy: -28.599
flat angles C4'-P-C4' energy: -23.378
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -36.929
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: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -321.972700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.972700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.972700 (E_RNA)
where:
Base-Base interactions energy: -204.081
where: short stacking energy: -117.481
Base-Backbone interact. energy: -0.184
local terms energy: -117.707956
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -32.256
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: 5, replica: 9
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -322.754384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.754384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.754384 (E_RNA)
where:
Base-Base interactions energy: -205.169
where: short stacking energy: -109.455
Base-Backbone interact. energy: 0.456
local terms energy: -118.041356
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -26.521
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -28.671
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: 8
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -253.187478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.187478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.187478 (E_RNA)
where:
Base-Base interactions energy: -143.322
where: short stacking energy: -84.479
Base-Backbone interact. energy: -0.028
local terms energy: -109.837039
where:
bonds (distance) C4'-P energy: -27.254
bonds (distance) P-C4' energy: -26.330
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -17.996
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -245.252076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.252076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.252076 (E_RNA)
where:
Base-Base interactions energy: -152.491
where: short stacking energy: -76.919
Base-Backbone interact. energy: -0.833
local terms energy: -91.927641
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -26.602
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -10.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -128.712187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.712187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.712187 (E_RNA)
where:
Base-Base interactions energy: -50.249
where: short stacking energy: -47.300
Base-Backbone interact. energy: -1.310
local terms energy: -77.152502
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -23.784
tors. eta vs tors. theta energy: -2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -144.179733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.179733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.179733 (E_RNA)
where:
Base-Base interactions energy: -55.257
where: short stacking energy: -55.257
Base-Backbone interact. energy: -0.179
local terms energy: -88.743990
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -27.220
flat angles C4'-P-C4' energy: -22.540
flat angles P-C4'-P energy: -19.813
tors. eta vs tors. theta energy: -1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -120.428695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.428695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.428695 (E_RNA)
where:
Base-Base interactions energy: -43.027
where: short stacking energy: -39.224
Base-Backbone interact. energy: 0.087
local terms energy: -77.488421
where:
bonds (distance) C4'-P energy: -22.646
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -17.027
tors. eta vs tors. theta energy: -3.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -424.645057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.645057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.645057 (E_RNA)
where:
Base-Base interactions energy: -285.274
where: short stacking energy: -143.922
Base-Backbone interact. energy: -0.591
local terms energy: -138.779291
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -27.621
flat angles C4'-P-C4' energy: -27.360
flat angles P-C4'-P energy: -19.935
tors. eta vs tors. theta energy: -37.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -414.544333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.544333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.544333 (E_RNA)
where:
Base-Base interactions energy: -273.651
where: short stacking energy: -127.671
Base-Backbone interact. energy: -0.010
local terms energy: -140.883871
where:
bonds (distance) C4'-P energy: -26.952
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -29.376
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: -42.058
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: 3
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -342.865972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.865972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.865972 (E_RNA)
where:
Base-Base interactions energy: -202.843
where: short stacking energy: -128.370
Base-Backbone interact. energy: -0.175
local terms energy: -139.847783
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -30.014
flat angles C4'-P-C4' energy: -27.560
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -37.339
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: 1
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -370.158256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.158256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.158256 (E_RNA)
where:
Base-Base interactions energy: -240.354
where: short stacking energy: -117.402
Base-Backbone interact. energy: -0.406
local terms energy: -129.398700
where:
bonds (distance) C4'-P energy: -26.886
bonds (distance) P-C4' energy: -26.093
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -18.422
tors. eta vs tors. theta energy: -34.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -322.020508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.020508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.020508 (E_RNA)
where:
Base-Base interactions energy: -195.896
where: short stacking energy: -104.493
Base-Backbone interact. energy: -0.157
local terms energy: -125.966747
where:
bonds (distance) C4'-P energy: -24.377
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -29.247
flat angles P-C4'-P energy: -18.752
tors. eta vs tors. theta energy: -30.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -253.570062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.570062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.570062 (E_RNA)
where:
Base-Base interactions energy: -158.447
where: short stacking energy: -86.705
Base-Backbone interact. energy: -0.138
local terms energy: -94.984879
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -25.795
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -240.238168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.238168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.238168 (E_RNA)
where:
Base-Base interactions energy: -151.081
where: short stacking energy: -79.291
Base-Backbone interact. energy: -0.448
local terms energy: -88.708887
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -26.555
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -13.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -151.145463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.145463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.145463 (E_RNA)
where:
Base-Base interactions energy: -50.530
where: short stacking energy: -49.613
Base-Backbone interact. energy: -0.778
local terms energy: -99.837943
where:
bonds (distance) C4'-P energy: -25.597
bonds (distance) P-C4' energy: -26.075
flat angles C4'-P-C4' energy: -23.964
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -10.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -132.267044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.267044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.267044 (E_RNA)
where:
Base-Base interactions energy: -46.750
where: short stacking energy: -42.343
Base-Backbone interact. energy: -0.049
local terms energy: -85.467971
where:
bonds (distance) C4'-P energy: -25.913
bonds (distance) P-C4' energy: -24.655
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -12.646
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: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -150.322767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.322767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.322767 (E_RNA)
where:
Base-Base interactions energy: -67.118
where: short stacking energy: -52.414
Base-Backbone interact. energy: -0.332
local terms energy: -82.872977
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -414.303756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.303756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.303756 (E_RNA)
where:
Base-Base interactions energy: -275.353
where: short stacking energy: -135.265
Base-Backbone interact. energy: -0.493
local terms energy: -138.458552
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -28.820
flat angles C4'-P-C4' energy: -28.053
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -39.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -407.811826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.811826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.811826 (E_RNA)
where:
Base-Base interactions energy: -268.796
where: short stacking energy: -119.849
Base-Backbone interact. energy: -1.057
local terms energy: -137.958538
where:
bonds (distance) C4'-P energy: -26.745
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -29.260
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -41.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -350.958524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.958524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.958524 (E_RNA)
where:
Base-Base interactions energy: -215.492
where: short stacking energy: -123.230
Base-Backbone interact. energy: 0.243
local terms energy: -135.709623
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -29.226
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -34.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -358.741869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.741869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.741869 (E_RNA)
where:
Base-Base interactions energy: -230.741
where: short stacking energy: -104.339
Base-Backbone interact. energy: -1.333
local terms energy: -126.668209
where:
bonds (distance) C4'-P energy: -25.771
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -28.229
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -28.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -301.246523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.246523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.246523 (E_RNA)
where:
Base-Base interactions energy: -192.121
where: short stacking energy: -102.871
Base-Backbone interact. energy: -0.281
local terms energy: -108.844601
where:
bonds (distance) C4'-P energy: -23.859
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -26.301
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -24.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -259.895936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.895936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.895936 (E_RNA)
where:
Base-Base interactions energy: -153.433
where: short stacking energy: -83.582
Base-Backbone interact. energy: -0.284
local terms energy: -106.179571
where:
bonds (distance) C4'-P energy: -28.661
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -29.460
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -12.416
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: 7, replica: 5
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -227.053001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.053001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.053001 (E_RNA)
where:
Base-Base interactions energy: -132.835
where: short stacking energy: -78.898
Base-Backbone interact. energy: 1.679
local terms energy: -95.897560
where:
bonds (distance) C4'-P energy: -22.676
bonds (distance) P-C4' energy: -24.985
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -13.961
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: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -155.045538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.045538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.045538 (E_RNA)
where:
Base-Base interactions energy: -74.698
where: short stacking energy: -74.385
Base-Backbone interact. energy: -0.147
local terms energy: -80.200078
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -134.364260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.364260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.364260 (E_RNA)
where:
Base-Base interactions energy: -50.294
where: short stacking energy: -47.203
Base-Backbone interact. energy: -0.276
local terms energy: -83.794073
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -128.274227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.274227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.274227 (E_RNA)
where:
Base-Base interactions energy: -43.622
where: short stacking energy: -43.107
Base-Backbone interact. energy: -0.326
local terms energy: -84.326193
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -24.762
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -8.065
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -412.515690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.515690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.515690 (E_RNA)
where:
Base-Base interactions energy: -274.627
where: short stacking energy: -139.400
Base-Backbone interact. energy: -0.424
local terms energy: -137.464304
where:
bonds (distance) C4'-P energy: -25.411
bonds (distance) P-C4' energy: -24.210
flat angles C4'-P-C4' energy: -27.133
flat angles P-C4'-P energy: -19.152
tors. eta vs tors. theta energy: -41.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -412.866739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.866739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.866739 (E_RNA)
where:
Base-Base interactions energy: -268.640
where: short stacking energy: -122.775
Base-Backbone interact. energy: -0.664
local terms energy: -143.561786
where:
bonds (distance) C4'-P energy: -27.598
bonds (distance) P-C4' energy: -27.763
flat angles C4'-P-C4' energy: -25.859
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -40.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -363.405679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.405679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.405679 (E_RNA)
where:
Base-Base interactions energy: -234.123
where: short stacking energy: -109.007
Base-Backbone interact. energy: 0.353
local terms energy: -129.635625
where:
bonds (distance) C4'-P energy: -26.269
bonds (distance) P-C4' energy: -29.265
flat angles C4'-P-C4' energy: -26.893
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -29.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -318.756495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.756495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.756495 (E_RNA)
where:
Base-Base interactions energy: -197.556
where: short stacking energy: -118.183
Base-Backbone interact. energy: -0.135
local terms energy: -121.064632
where:
bonds (distance) C4'-P energy: -25.428
bonds (distance) P-C4' energy: -24.772
flat angles C4'-P-C4' energy: -20.426
flat angles P-C4'-P energy: -20.117
tors. eta vs tors. theta energy: -30.321
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: 208
Temperature: 1.100000
Total energy: -279.870007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.870007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.870007 (E_RNA)
where:
Base-Base interactions energy: -171.017
where: short stacking energy: -91.281
Base-Backbone interact. energy: -0.025
local terms energy: -108.827592
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -29.379
flat angles C4'-P-C4' energy: -21.575
flat angles P-C4'-P energy: -17.316
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: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -327.718172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.718172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.718172 (E_RNA)
where:
Base-Base interactions energy: -210.517
where: short stacking energy: -113.809
Base-Backbone interact. energy: -1.833
local terms energy: -115.368421
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -29.743
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -32.338
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: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -222.346386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.346386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.346386 (E_RNA)
where:
Base-Base interactions energy: -121.972
where: short stacking energy: -68.045
Base-Backbone interact. energy: -0.237
local terms energy: -100.138110
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -28.607
flat angles C4'-P-C4' energy: -24.989
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -17.432
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: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -143.725994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.725994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.725994 (E_RNA)
where:
Base-Base interactions energy: -55.768
where: short stacking energy: -52.891
Base-Backbone interact. energy: -0.122
local terms energy: -87.835927
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -26.491
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -15.602
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -127.487025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.487025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.487025 (E_RNA)
where:
Base-Base interactions energy: -48.867
where: short stacking energy: -45.930
Base-Backbone interact. energy: -0.236
local terms energy: -78.384508
where:
bonds (distance) C4'-P energy: -20.718
bonds (distance) P-C4' energy: -19.973
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -16.067
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: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -130.602022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.602022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.602022 (E_RNA)
where:
Base-Base interactions energy: -53.687
where: short stacking energy: -41.448
Base-Backbone interact. energy: -0.619
local terms energy: -76.295547
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -22.331
flat angles C4'-P-C4' energy: -25.699
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: 0.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -414.608084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.608084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.608084 (E_RNA)
where:
Base-Base interactions energy: -281.216
where: short stacking energy: -135.332
Base-Backbone interact. energy: -0.215
local terms energy: -133.176981
where:
bonds (distance) C4'-P energy: -24.803
bonds (distance) P-C4' energy: -23.673
flat angles C4'-P-C4' energy: -28.226
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -41.795
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: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -424.238096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.238096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.238096 (E_RNA)
where:
Base-Base interactions energy: -285.330
where: short stacking energy: -131.785
Base-Backbone interact. energy: -0.351
local terms energy: -138.557452
where:
bonds (distance) C4'-P energy: -29.022
bonds (distance) P-C4' energy: -26.090
flat angles C4'-P-C4' energy: -28.066
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: -37.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -374.952524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.952524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.952524 (E_RNA)
where:
Base-Base interactions energy: -244.233
where: short stacking energy: -132.390
Base-Backbone interact. energy: -0.161
local terms energy: -130.558268
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -29.374
flat angles C4'-P-C4' energy: -30.987
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -33.296
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: 209
Temperature: 1.050000
Total energy: -308.456035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.456035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.456035 (E_RNA)
where:
Base-Base interactions energy: -175.598
where: short stacking energy: -101.941
Base-Backbone interact. energy: 2.371
local terms energy: -135.228877
where:
bonds (distance) C4'-P energy: -26.104
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -34.582
flat angles P-C4'-P energy: -22.287
tors. eta vs tors. theta energy: -28.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -297.842099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.842099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.842099 (E_RNA)
where:
Base-Base interactions energy: -182.296
where: short stacking energy: -106.579
Base-Backbone interact. energy: 0.792
local terms energy: -116.337649
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -28.865
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -22.437
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: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -322.641667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.641667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.641667 (E_RNA)
where:
Base-Base interactions energy: -207.102
where: short stacking energy: -117.211
Base-Backbone interact. energy: -0.821
local terms energy: -114.718971
where:
bonds (distance) C4'-P energy: -21.582
bonds (distance) P-C4' energy: -25.086
flat angles C4'-P-C4' energy: -27.026
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -30.258
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: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -217.948784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.948784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.948784 (E_RNA)
where:
Base-Base interactions energy: -113.523
where: short stacking energy: -66.864
Base-Backbone interact. energy: -0.527
local terms energy: -103.898430
where:
bonds (distance) C4'-P energy: -24.563
bonds (distance) P-C4' energy: -24.218
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -144.769684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.769684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.769684 (E_RNA)
where:
Base-Base interactions energy: -55.402
where: short stacking energy: -50.913
Base-Backbone interact. energy: -1.076
local terms energy: -88.292119
where:
bonds (distance) C4'-P energy: -25.892
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -143.324029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.324029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.324029 (E_RNA)
where:
Base-Base interactions energy: -64.041
where: short stacking energy: -54.183
Base-Backbone interact. energy: -0.355
local terms energy: -78.927571
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -24.208
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -119.649436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.649436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.649436 (E_RNA)
where:
Base-Base interactions energy: -39.218
where: short stacking energy: -36.549
Base-Backbone interact. energy: -0.357
local terms energy: -80.074415
where:
bonds (distance) C4'-P energy: -22.908
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -3.118
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -418.625172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.625172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.625172 (E_RNA)
where:
Base-Base interactions energy: -277.994
where: short stacking energy: -128.822
Base-Backbone interact. energy: -0.182
local terms energy: -140.449382
where:
bonds (distance) C4'-P energy: -26.240
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -29.516
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -39.642
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: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -410.359576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.359576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.359576 (E_RNA)
where:
Base-Base interactions energy: -273.499
where: short stacking energy: -124.791
Base-Backbone interact. energy: -0.291
local terms energy: -136.569801
where:
bonds (distance) C4'-P energy: -27.723
bonds (distance) P-C4' energy: -28.414
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -20.330
tors. eta vs tors. theta energy: -34.401
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: 1
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -371.421953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.421953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.421953 (E_RNA)
where:
Base-Base interactions energy: -244.905
where: short stacking energy: -126.969
Base-Backbone interact. energy: -0.484
local terms energy: -126.033319
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -25.864
flat angles C4'-P-C4' energy: -23.974
flat angles P-C4'-P energy: -22.301
tors. eta vs tors. theta energy: -38.220
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: 210
Temperature: 1.050000
Total energy: -310.919183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.919183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.919183 (E_RNA)
where:
Base-Base interactions energy: -193.599
where: short stacking energy: -97.417
Base-Backbone interact. energy: -0.814
local terms energy: -116.505392
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -28.967
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -23.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -333.653051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.653051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.653051 (E_RNA)
where:
Base-Base interactions energy: -202.506
where: short stacking energy: -112.766
Base-Backbone interact. energy: -0.060
local terms energy: -131.087115
where:
bonds (distance) C4'-P energy: -25.968
bonds (distance) P-C4' energy: -23.713
flat angles C4'-P-C4' energy: -29.094
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -35.385
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: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -320.104353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.104353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.104353 (E_RNA)
where:
Base-Base interactions energy: -204.507
where: short stacking energy: -108.731
Base-Backbone interact. energy: -0.036
local terms energy: -115.560927
where:
bonds (distance) C4'-P energy: -22.903
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -24.533
flat angles P-C4'-P energy: -18.642
tors. eta vs tors. theta energy: -30.334
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: 7, replica: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -240.861840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.861840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.861840 (E_RNA)
where:
Base-Base interactions energy: -137.275
where: short stacking energy: -82.453
Base-Backbone interact. energy: -0.422
local terms energy: -103.165211
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -23.902
flat angles C4'-P-C4' energy: -29.954
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -136.493277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.493277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.493277 (E_RNA)
where:
Base-Base interactions energy: -51.870
where: short stacking energy: -52.870
Base-Backbone interact. energy: -0.347
local terms energy: -84.276913
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -24.771
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -12.362
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: 9, replica: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -132.599150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.599150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.599150 (E_RNA)
where:
Base-Base interactions energy: -46.351
where: short stacking energy: -45.595
Base-Backbone interact. energy: 0.493
local terms energy: -86.740894
where:
bonds (distance) C4'-P energy: -24.456
bonds (distance) P-C4' energy: -24.205
flat angles C4'-P-C4' energy: -24.986
flat angles P-C4'-P energy: -11.078
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: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -132.323946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.323946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.323946 (E_RNA)
where:
Base-Base interactions energy: -65.049
where: short stacking energy: -55.722
Base-Backbone interact. energy: 0.473
local terms energy: -67.748442
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -24.899
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -4.050
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -411.374036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.374036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.374036 (E_RNA)
where:
Base-Base interactions energy: -266.339
where: short stacking energy: -138.886
Base-Backbone interact. energy: -0.180
local terms energy: -144.854772
where:
bonds (distance) C4'-P energy: -27.168
bonds (distance) P-C4' energy: -30.166
flat angles C4'-P-C4' energy: -28.397
flat angles P-C4'-P energy: -16.430
tors. eta vs tors. theta energy: -42.693
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: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -390.468333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.468333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.468333 (E_RNA)
where:
Base-Base interactions energy: -264.133
where: short stacking energy: -120.847
Base-Backbone interact. energy: 1.331
local terms energy: -127.666710
where:
bonds (distance) C4'-P energy: -22.430
bonds (distance) P-C4' energy: -25.520
flat angles C4'-P-C4' energy: -26.645
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -32.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -386.361712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.361712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.361712 (E_RNA)
where:
Base-Base interactions energy: -250.812
where: short stacking energy: -111.565
Base-Backbone interact. energy: -3.060
local terms energy: -132.489847
where:
bonds (distance) C4'-P energy: -27.943
bonds (distance) P-C4' energy: -25.161
flat angles C4'-P-C4' energy: -27.695
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -38.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -331.950827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.950827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.950827 (E_RNA)
where:
Base-Base interactions energy: -212.263
where: short stacking energy: -120.376
Base-Backbone interact. energy: -0.107
local terms energy: -119.580657
where:
bonds (distance) C4'-P energy: -24.179
bonds (distance) P-C4' energy: -23.890
flat angles C4'-P-C4' energy: -23.795
flat angles P-C4'-P energy: -16.559
tors. eta vs tors. theta energy: -31.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -283.892967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.892967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.892967 (E_RNA)
where:
Base-Base interactions energy: -168.004
where: short stacking energy: -97.380
Base-Backbone interact. energy: -2.120
local terms energy: -113.768611
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -26.839
flat angles C4'-P-C4' energy: -25.623
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -23.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -293.711560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.711560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.711560 (E_RNA)
where:
Base-Base interactions energy: -190.068
where: short stacking energy: -94.947
Base-Backbone interact. energy: -0.871
local terms energy: -102.772677
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -26.978
flat angles C4'-P-C4' energy: -22.842
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -23.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -253.845618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.845618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.845618 (E_RNA)
where:
Base-Base interactions energy: -146.766
where: short stacking energy: -82.776
Base-Backbone interact. energy: -0.078
local terms energy: -107.001089
where:
bonds (distance) C4'-P energy: -27.642
bonds (distance) P-C4' energy: -26.300
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -13.985
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -151.594202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.594202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.594202 (E_RNA)
where:
Base-Base interactions energy: -64.869
where: short stacking energy: -62.289
Base-Backbone interact. energy: -0.228
local terms energy: -86.496839
where:
bonds (distance) C4'-P energy: -27.387
bonds (distance) P-C4' energy: -24.816
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -138.306372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.306372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.306372 (E_RNA)
where:
Base-Base interactions energy: -63.751
where: short stacking energy: -43.358
Base-Backbone interact. energy: 1.016
local terms energy: -75.571305
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -1.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -125.575389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.575389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.575389 (E_RNA)
where:
Base-Base interactions energy: -50.218
where: short stacking energy: -46.391
Base-Backbone interact. energy: -0.039
local terms energy: -75.319239
where:
bonds (distance) C4'-P energy: -27.114
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -0.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -417.144249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.144249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.144249 (E_RNA)
where:
Base-Base interactions energy: -271.504
where: short stacking energy: -134.065
Base-Backbone interact. energy: -0.465
local terms energy: -145.175669
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -29.981
flat angles C4'-P-C4' energy: -29.199
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -41.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -406.996725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.996725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.996725 (E_RNA)
where:
Base-Base interactions energy: -267.418
where: short stacking energy: -134.666
Base-Backbone interact. energy: -0.538
local terms energy: -139.040265
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -28.192
flat angles C4'-P-C4' energy: -30.207
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -38.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -409.273472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.273472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.273472 (E_RNA)
where:
Base-Base interactions energy: -277.009
where: short stacking energy: -134.256
Base-Backbone interact. energy: -0.219
local terms energy: -132.046192
where:
bonds (distance) C4'-P energy: -27.640
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -31.209
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: -37.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -310.767233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.767233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.767233 (E_RNA)
where:
Base-Base interactions energy: -184.926
where: short stacking energy: -108.685
Base-Backbone interact. energy: -0.841
local terms energy: -125.000085
where:
bonds (distance) C4'-P energy: -25.291
bonds (distance) P-C4' energy: -25.599
flat angles C4'-P-C4' energy: -27.164
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -30.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -329.357406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.357406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.357406 (E_RNA)
where:
Base-Base interactions energy: -222.228
where: short stacking energy: -120.588
Base-Backbone interact. energy: -0.080
local terms energy: -107.048785
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -21.934
flat angles C4'-P-C4' energy: -24.457
flat angles P-C4'-P energy: -15.987
tors. eta vs tors. theta energy: -26.661
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: 8
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -296.944153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.944153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.944153 (E_RNA)
where:
Base-Base interactions energy: -180.101
where: short stacking energy: -98.220
Base-Backbone interact. energy: -1.476
local terms energy: -115.367211
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -22.881
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -24.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -240.589412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.589412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.589412 (E_RNA)
where:
Base-Base interactions energy: -137.952
where: short stacking energy: -81.157
Base-Backbone interact. energy: 0.066
local terms energy: -102.703098
where:
bonds (distance) C4'-P energy: -25.767
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -26.097
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -137.346761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.346761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.346761 (E_RNA)
where:
Base-Base interactions energy: -60.220
where: short stacking energy: -50.899
Base-Backbone interact. energy: -1.513
local terms energy: -75.612842
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -21.924
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -5.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -136.823328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.823328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.823328 (E_RNA)
where:
Base-Base interactions energy: -56.456
where: short stacking energy: -55.862
Base-Backbone interact. energy: -0.884
local terms energy: -79.483909
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -23.724
flat angles C4'-P-C4' energy: -25.812
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -133.279715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.279715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.279715 (E_RNA)
where:
Base-Base interactions energy: -52.913
where: short stacking energy: -48.407
Base-Backbone interact. energy: -0.611
local terms energy: -79.755556
where:
bonds (distance) C4'-P energy: -25.061
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -23.682
flat angles P-C4'-P energy: -3.549
tors. eta vs tors. theta energy: -7.222
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -415.140399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.140399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.140399 (E_RNA)
where:
Base-Base interactions energy: -269.895
where: short stacking energy: -144.755
Base-Backbone interact. energy: -0.437
local terms energy: -144.808621
where:
bonds (distance) C4'-P energy: -27.507
bonds (distance) P-C4' energy: -28.212
flat angles C4'-P-C4' energy: -30.247
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -43.264
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: 2, replica: 4
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -410.657528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.657528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.657528 (E_RNA)
where:
Base-Base interactions energy: -276.137
where: short stacking energy: -130.889
Base-Backbone interact. energy: -0.411
local terms energy: -134.109977
where:
bonds (distance) C4'-P energy: -26.608
bonds (distance) P-C4' energy: -27.477
flat angles C4'-P-C4' energy: -24.255
flat angles P-C4'-P energy: -21.130
tors. eta vs tors. theta energy: -34.640
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: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -401.773719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.773719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.773719 (E_RNA)
where:
Base-Base interactions energy: -269.654
where: short stacking energy: -133.447
Base-Backbone interact. energy: -0.431
local terms energy: -131.688748
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -28.473
flat angles C4'-P-C4' energy: -26.367
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -37.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -323.401456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.401456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.401456 (E_RNA)
where:
Base-Base interactions energy: -201.946
where: short stacking energy: -111.902
Base-Backbone interact. energy: -0.333
local terms energy: -121.122549
where:
bonds (distance) C4'-P energy: -22.907
bonds (distance) P-C4' energy: -26.378
flat angles C4'-P-C4' energy: -25.015
flat angles P-C4'-P energy: -20.143
tors. eta vs tors. theta energy: -26.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -311.381703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.381703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.381703 (E_RNA)
where:
Base-Base interactions energy: -197.449
where: short stacking energy: -99.766
Base-Backbone interact. energy: -0.200
local terms energy: -113.733128
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -26.919
flat angles C4'-P-C4' energy: -28.739
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -22.298
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: 8
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -276.442755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.442755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.442755 (E_RNA)
where:
Base-Base interactions energy: -162.662
where: short stacking energy: -94.621
Base-Backbone interact. energy: -0.283
local terms energy: -113.497632
where:
bonds (distance) C4'-P energy: -28.202
bonds (distance) P-C4' energy: -20.064
flat angles C4'-P-C4' energy: -25.044
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -25.571
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: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -238.878454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.878454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.878454 (E_RNA)
where:
Base-Base interactions energy: -146.479
where: short stacking energy: -85.074
Base-Backbone interact. energy: -0.966
local terms energy: -91.433782
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -22.721
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -173.751771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.751771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.751771 (E_RNA)
where:
Base-Base interactions energy: -80.043
where: short stacking energy: -62.846
Base-Backbone interact. energy: -0.082
local terms energy: -93.626612
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -19.755
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -19.371
tors. eta vs tors. theta energy: -10.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -140.778757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.778757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.778757 (E_RNA)
where:
Base-Base interactions energy: -52.996
where: short stacking energy: -51.186
Base-Backbone interact. energy: -0.222
local terms energy: -87.561313
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -25.396
flat angles C4'-P-C4' energy: -23.214
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -121.927533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.927533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.927533 (E_RNA)
where:
Base-Base interactions energy: -48.992
where: short stacking energy: -31.616
Base-Backbone interact. energy: -0.288
local terms energy: -72.647618
where:
bonds (distance) C4'-P energy: -23.680
bonds (distance) P-C4' energy: -26.699
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: 2.295
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -411.848894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.848894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.848894 (E_RNA)
where:
Base-Base interactions energy: -273.370
where: short stacking energy: -133.203
Base-Backbone interact. energy: -0.043
local terms energy: -138.436055
where:
bonds (distance) C4'-P energy: -24.911
bonds (distance) P-C4' energy: -25.799
flat angles C4'-P-C4' energy: -30.521
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -39.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -381.540848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.540848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.540848 (E_RNA)
where:
Base-Base interactions energy: -257.491
where: short stacking energy: -104.968
Base-Backbone interact. energy: 0.456
local terms energy: -124.506306
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -29.613
flat angles P-C4'-P energy: -18.912
tors. eta vs tors. theta energy: -29.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -392.381807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.381807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.381807 (E_RNA)
where:
Base-Base interactions energy: -261.586
where: short stacking energy: -130.918
Base-Backbone interact. energy: -0.633
local terms energy: -130.162973
where:
bonds (distance) C4'-P energy: -22.680
bonds (distance) P-C4' energy: -24.342
flat angles C4'-P-C4' energy: -29.089
flat angles P-C4'-P energy: -16.872
tors. eta vs tors. theta energy: -37.179
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: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -316.847177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.847177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.847177 (E_RNA)
where:
Base-Base interactions energy: -201.297
where: short stacking energy: -104.725
Base-Backbone interact. energy: -1.074
local terms energy: -114.476238
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -23.342
flat angles C4'-P-C4' energy: -31.004
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -21.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -313.438177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.438177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.438177 (E_RNA)
where:
Base-Base interactions energy: -189.753
where: short stacking energy: -109.281
Base-Backbone interact. energy: -0.003
local terms energy: -123.682252
where:
bonds (distance) C4'-P energy: -24.338
bonds (distance) P-C4' energy: -26.952
flat angles C4'-P-C4' energy: -24.050
flat angles P-C4'-P energy: -20.232
tors. eta vs tors. theta energy: -28.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -277.855268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.855268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.855268 (E_RNA)
where:
Base-Base interactions energy: -159.909
where: short stacking energy: -90.002
Base-Backbone interact. energy: -0.483
local terms energy: -117.463079
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -25.707
flat angles C4'-P-C4' energy: -24.991
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -23.537
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: 7, replica: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -247.377045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.377045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.377045 (E_RNA)
where:
Base-Base interactions energy: -153.617
where: short stacking energy: -87.603
Base-Backbone interact. energy: -0.373
local terms energy: -93.387665
where:
bonds (distance) C4'-P energy: -22.670
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -168.706676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.706676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.706676 (E_RNA)
where:
Base-Base interactions energy: -96.682
where: short stacking energy: -64.246
Base-Backbone interact. energy: -1.075
local terms energy: -70.949860
where:
bonds (distance) C4'-P energy: -27.183
bonds (distance) P-C4' energy: -19.902
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -5.358
tors. eta vs tors. theta energy: -8.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -133.899293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.899293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.899293 (E_RNA)
where:
Base-Base interactions energy: -56.827
where: short stacking energy: -54.259
Base-Backbone interact. energy: -0.433
local terms energy: -76.638694
where:
bonds (distance) C4'-P energy: -19.490
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -20.950
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: 2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -131.722457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.722457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.722457 (E_RNA)
where:
Base-Base interactions energy: -53.845
where: short stacking energy: -46.740
Base-Backbone interact. energy: -0.292
local terms energy: -77.585485
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -27.671
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -12.323
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -408.311475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.311475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.311475 (E_RNA)
where:
Base-Base interactions energy: -272.488
where: short stacking energy: -140.034
Base-Backbone interact. energy: -0.008
local terms energy: -135.815963
where:
bonds (distance) C4'-P energy: -28.197
bonds (distance) P-C4' energy: -23.068
flat angles C4'-P-C4' energy: -25.420
flat angles P-C4'-P energy: -17.731
tors. eta vs tors. theta energy: -41.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -405.974504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.974504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.974504 (E_RNA)
where:
Base-Base interactions energy: -268.304
where: short stacking energy: -126.964
Base-Backbone interact. energy: -1.039
local terms energy: -136.630590
where:
bonds (distance) C4'-P energy: -26.908
bonds (distance) P-C4' energy: -30.056
flat angles C4'-P-C4' energy: -27.064
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -37.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -380.173833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.173833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.173833 (E_RNA)
where:
Base-Base interactions energy: -250.175
where: short stacking energy: -124.261
Base-Backbone interact. energy: -1.507
local terms energy: -128.491855
where:
bonds (distance) C4'-P energy: -24.158
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -21.631
tors. eta vs tors. theta energy: -35.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -328.729470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.729470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.729470 (E_RNA)
where:
Base-Base interactions energy: -208.917
where: short stacking energy: -110.506
Base-Backbone interact. energy: -0.487
local terms energy: -119.325303
where:
bonds (distance) C4'-P energy: -28.266
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -26.142
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -22.112
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: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -321.645130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.645130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.645130 (E_RNA)
where:
Base-Base interactions energy: -189.005
where: short stacking energy: -112.807
Base-Backbone interact. energy: 0.558
local terms energy: -133.198005
where:
bonds (distance) C4'-P energy: -28.036
bonds (distance) P-C4' energy: -28.752
flat angles C4'-P-C4' energy: -25.768
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -34.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -299.452257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.452257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.452257 (E_RNA)
where:
Base-Base interactions energy: -183.292
where: short stacking energy: -106.962
Base-Backbone interact. energy: -0.306
local terms energy: -115.854204
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -25.207
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: -29.145
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: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -258.531997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.531997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.531997 (E_RNA)
where:
Base-Base interactions energy: -167.769
where: short stacking energy: -94.158
Base-Backbone interact. energy: -0.271
local terms energy: -90.492218
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -158.915611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.915611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.915611 (E_RNA)
where:
Base-Base interactions energy: -73.133
where: short stacking energy: -58.449
Base-Backbone interact. energy: -0.716
local terms energy: -85.067189
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -25.505
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -5.745
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: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -133.129260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.129260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.129260 (E_RNA)
where:
Base-Base interactions energy: -53.988
where: short stacking energy: -53.988
Base-Backbone interact. energy: -0.354
local terms energy: -78.786466
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -120.040677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.040677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.040677 (E_RNA)
where:
Base-Base interactions energy: -50.425
where: short stacking energy: -48.301
Base-Backbone interact. energy: 0.707
local terms energy: -70.322554
where:
bonds (distance) C4'-P energy: -22.754
bonds (distance) P-C4' energy: -21.759
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: 2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -409.703955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.703955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.703955 (E_RNA)
where:
Base-Base interactions energy: -266.066
where: short stacking energy: -125.661
Base-Backbone interact. energy: -1.223
local terms energy: -142.415742
where:
bonds (distance) C4'-P energy: -28.448
bonds (distance) P-C4' energy: -26.044
flat angles C4'-P-C4' energy: -29.000
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -37.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -400.927603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.927603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.927603 (E_RNA)
where:
Base-Base interactions energy: -265.289
where: short stacking energy: -137.186
Base-Backbone interact. energy: -0.664
local terms energy: -134.974503
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -29.598
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -41.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -386.126426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.126426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.126426 (E_RNA)
where:
Base-Base interactions energy: -246.130
where: short stacking energy: -120.198
Base-Backbone interact. energy: -1.783
local terms energy: -138.213020
where:
bonds (distance) C4'-P energy: -24.641
bonds (distance) P-C4' energy: -27.283
flat angles C4'-P-C4' energy: -28.471
flat angles P-C4'-P energy: -22.307
tors. eta vs tors. theta energy: -35.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -345.062260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.062260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.062260 (E_RNA)
where:
Base-Base interactions energy: -223.419
where: short stacking energy: -122.664
Base-Backbone interact. energy: -0.356
local terms energy: -121.287396
where:
bonds (distance) C4'-P energy: -24.966
bonds (distance) P-C4' energy: -20.901
flat angles C4'-P-C4' energy: -26.423
flat angles P-C4'-P energy: -20.128
tors. eta vs tors. theta energy: -28.869
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: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -322.443715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.443715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.443715 (E_RNA)
where:
Base-Base interactions energy: -192.310
where: short stacking energy: -120.884
Base-Backbone interact. energy: -0.770
local terms energy: -129.364027
where:
bonds (distance) C4'-P energy: -26.308
bonds (distance) P-C4' energy: -26.440
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -35.287
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: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -273.345806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.345806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.345806 (E_RNA)
where:
Base-Base interactions energy: -162.751
where: short stacking energy: -102.717
Base-Backbone interact. energy: -0.063
local terms energy: -110.531630
where:
bonds (distance) C4'-P energy: -21.483
bonds (distance) P-C4' energy: -23.283
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -19.960
tors. eta vs tors. theta energy: -22.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -154.885656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.885656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.885656 (E_RNA)
where:
Base-Base interactions energy: -60.744
where: short stacking energy: -58.265
Base-Backbone interact. energy: -1.461
local terms energy: -92.680392
where:
bonds (distance) C4'-P energy: -22.047
bonds (distance) P-C4' energy: -25.363
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -233.167786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.167786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.167786 (E_RNA)
where:
Base-Base interactions energy: -137.662
where: short stacking energy: -75.411
Base-Backbone interact. energy: 2.266
local terms energy: -97.772677
where:
bonds (distance) C4'-P energy: -20.767
bonds (distance) P-C4' energy: -23.687
flat angles C4'-P-C4' energy: -24.107
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -15.060
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: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -129.330526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.330526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.330526 (E_RNA)
where:
Base-Base interactions energy: -47.343
where: short stacking energy: -46.672
Base-Backbone interact. energy: 2.008
local terms energy: -83.995686
where:
bonds (distance) C4'-P energy: -21.602
bonds (distance) P-C4' energy: -28.103
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: 1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -120.176316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.176316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.176316 (E_RNA)
where:
Base-Base interactions energy: -43.654
where: short stacking energy: -38.340
Base-Backbone interact. energy: 1.159
local terms energy: -77.681977
where:
bonds (distance) C4'-P energy: -25.831
bonds (distance) P-C4' energy: -28.797
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: 0.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -419.634961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.634961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.634961 (E_RNA)
where:
Base-Base interactions energy: -277.735
where: short stacking energy: -131.331
Base-Backbone interact. energy: -1.562
local terms energy: -140.337514
where:
bonds (distance) C4'-P energy: -24.981
bonds (distance) P-C4' energy: -29.823
flat angles C4'-P-C4' energy: -29.221
flat angles P-C4'-P energy: -19.587
tors. eta vs tors. theta energy: -36.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -406.333553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.333553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.333553 (E_RNA)
where:
Base-Base interactions energy: -263.832
where: short stacking energy: -126.930
Base-Backbone interact. energy: -3.064
local terms energy: -139.437473
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -28.017
flat angles C4'-P-C4' energy: -24.572
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: -42.450
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: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -385.873876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.873876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.873876 (E_RNA)
where:
Base-Base interactions energy: -263.500
where: short stacking energy: -125.571
Base-Backbone interact. energy: -1.533
local terms energy: -120.841308
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -25.436
flat angles C4'-P-C4' energy: -25.611
flat angles P-C4'-P energy: -17.119
tors. eta vs tors. theta energy: -33.093
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: 217
Temperature: 1.050000
Total energy: -335.626662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.626662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.626662 (E_RNA)
where:
Base-Base interactions energy: -201.021
where: short stacking energy: -109.920
Base-Backbone interact. energy: 0.100
local terms energy: -134.706186
where:
bonds (distance) C4'-P energy: -28.239
bonds (distance) P-C4' energy: -27.471
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -18.996
tors. eta vs tors. theta energy: -32.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -287.456337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.456337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.456337 (E_RNA)
where:
Base-Base interactions energy: -165.451
where: short stacking energy: -91.674
Base-Backbone interact. energy: 0.035
local terms energy: -122.040633
where:
bonds (distance) C4'-P energy: -24.087
bonds (distance) P-C4' energy: -25.866
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -22.453
tors. eta vs tors. theta energy: -23.014
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: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -273.971582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.971582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.971582 (E_RNA)
where:
Base-Base interactions energy: -151.989
where: short stacking energy: -79.131
Base-Backbone interact. energy: 1.206
local terms energy: -123.188173
where:
bonds (distance) C4'-P energy: -24.625
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -30.360
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -20.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -152.427607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.427607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.427607 (E_RNA)
where:
Base-Base interactions energy: -68.629
where: short stacking energy: -63.082
Base-Backbone interact. energy: -1.880
local terms energy: -81.919198
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -25.210
flat angles C4'-P-C4' energy: -25.672
flat angles P-C4'-P energy: -10.926
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: 8, replica: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -232.562555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.562555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.562555 (E_RNA)
where:
Base-Base interactions energy: -142.226
where: short stacking energy: -75.485
Base-Backbone interact. energy: -0.219
local terms energy: -90.117080
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -22.965
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -16.128
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: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -145.745186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.745186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.745186 (E_RNA)
where:
Base-Base interactions energy: -56.829
where: short stacking energy: -56.829
Base-Backbone interact. energy: -0.860
local terms energy: -88.055606
where:
bonds (distance) C4'-P energy: -25.482
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -8.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -121.176295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.176295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.176295 (E_RNA)
where:
Base-Base interactions energy: -48.802
where: short stacking energy: -48.062
Base-Backbone interact. energy: 0.196
local terms energy: -72.570638
where:
bonds (distance) C4'-P energy: -19.413
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -16.359
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -410.692053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.692053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.692053 (E_RNA)
where:
Base-Base interactions energy: -272.627
where: short stacking energy: -135.147
Base-Backbone interact. energy: -0.574
local terms energy: -137.491154
where:
bonds (distance) C4'-P energy: -22.963
bonds (distance) P-C4' energy: -25.707
flat angles C4'-P-C4' energy: -26.467
flat angles P-C4'-P energy: -21.286
tors. eta vs tors. theta energy: -41.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -409.744088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.744088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.744088 (E_RNA)
where:
Base-Base interactions energy: -271.222
where: short stacking energy: -135.834
Base-Backbone interact. energy: -0.813
local terms energy: -137.709371
where:
bonds (distance) C4'-P energy: -23.809
bonds (distance) P-C4' energy: -28.118
flat angles C4'-P-C4' energy: -29.865
flat angles P-C4'-P energy: -17.411
tors. eta vs tors. theta energy: -38.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -349.626697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.626697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.626697 (E_RNA)
where:
Base-Base interactions energy: -226.419
where: short stacking energy: -115.939
Base-Backbone interact. energy: -0.473
local terms energy: -122.734403
where:
bonds (distance) C4'-P energy: -26.417
bonds (distance) P-C4' energy: -26.678
flat angles C4'-P-C4' energy: -22.681
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -29.249
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: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -381.159930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.159930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.159930 (E_RNA)
where:
Base-Base interactions energy: -256.920
where: short stacking energy: -121.088
Base-Backbone interact. energy: -0.467
local terms energy: -123.773012
where:
bonds (distance) C4'-P energy: -21.007
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -23.021
tors. eta vs tors. theta energy: -35.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -281.910196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.910196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.910196 (E_RNA)
where:
Base-Base interactions energy: -171.847
where: short stacking energy: -97.427
Base-Backbone interact. energy: -0.911
local terms energy: -109.151462
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -19.461
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -22.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -285.756990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.756990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.756990 (E_RNA)
where:
Base-Base interactions energy: -175.141
where: short stacking energy: -99.776
Base-Backbone interact. energy: -0.568
local terms energy: -110.048468
where:
bonds (distance) C4'-P energy: -25.578
bonds (distance) P-C4' energy: -24.221
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -27.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -239.819399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.819399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.819399 (E_RNA)
where:
Base-Base interactions energy: -138.713
where: short stacking energy: -75.989
Base-Backbone interact. energy: 1.004
local terms energy: -102.110878
where:
bonds (distance) C4'-P energy: -26.023
bonds (distance) P-C4' energy: -18.530
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -15.993
tors. eta vs tors. theta energy: -14.213
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: 218
Temperature: 1.250000
Total energy: -142.541418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.541418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.541418 (E_RNA)
where:
Base-Base interactions energy: -57.381
where: short stacking energy: -42.813
Base-Backbone interact. energy: -1.297
local terms energy: -83.862906
where:
bonds (distance) C4'-P energy: -24.686
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -7.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -147.121906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.121906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.121906 (E_RNA)
where:
Base-Base interactions energy: -47.531
where: short stacking energy: -35.438
Base-Backbone interact. energy: -0.191
local terms energy: -99.400307
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -26.906
flat angles C4'-P-C4' energy: -23.683
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -9.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -118.434196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.434196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.434196 (E_RNA)
where:
Base-Base interactions energy: -39.246
where: short stacking energy: -35.644
Base-Backbone interact. energy: -0.758
local terms energy: -78.429770
where:
bonds (distance) C4'-P energy: -28.281
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -11.573
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -422.581505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.581505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.581505 (E_RNA)
where:
Base-Base interactions energy: -275.217
where: short stacking energy: -136.658
Base-Backbone interact. energy: -0.361
local terms energy: -147.002794
where:
bonds (distance) C4'-P energy: -28.707
bonds (distance) P-C4' energy: -23.704
flat angles C4'-P-C4' energy: -26.616
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: -43.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -412.745901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.745901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.745901 (E_RNA)
where:
Base-Base interactions energy: -270.695
where: short stacking energy: -138.076
Base-Backbone interact. energy: -2.818
local terms energy: -139.232645
where:
bonds (distance) C4'-P energy: -25.293
bonds (distance) P-C4' energy: -25.742
flat angles C4'-P-C4' energy: -31.346
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: -38.239
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: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -351.575690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.575690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.575690 (E_RNA)
where:
Base-Base interactions energy: -212.253
where: short stacking energy: -126.359
Base-Backbone interact. energy: -0.262
local terms energy: -139.060192
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -28.163
flat angles C4'-P-C4' energy: -27.447
flat angles P-C4'-P energy: -22.899
tors. eta vs tors. theta energy: -37.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -369.378640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.378640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.378640 (E_RNA)
where:
Base-Base interactions energy: -242.682
where: short stacking energy: -112.685
Base-Backbone interact. energy: -0.318
local terms energy: -126.378291
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -25.586
flat angles C4'-P-C4' energy: -25.722
flat angles P-C4'-P energy: -22.129
tors. eta vs tors. theta energy: -27.558
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: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -294.112144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.112144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.112144 (E_RNA)
where:
Base-Base interactions energy: -178.504
where: short stacking energy: -100.220
Base-Backbone interact. energy: -0.121
local terms energy: -115.487372
where:
bonds (distance) C4'-P energy: -25.274
bonds (distance) P-C4' energy: -27.364
flat angles C4'-P-C4' energy: -22.394
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -24.436
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: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -251.498283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.498283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.498283 (E_RNA)
where:
Base-Base interactions energy: -144.387
where: short stacking energy: -90.502
Base-Backbone interact. energy: -2.603
local terms energy: -104.508936
where:
bonds (distance) C4'-P energy: -26.501
bonds (distance) P-C4' energy: -20.550
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -24.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -264.138601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.138601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.138601 (E_RNA)
where:
Base-Base interactions energy: -149.299
where: short stacking energy: -82.834
Base-Backbone interact. energy: -0.193
local terms energy: -114.647449
where:
bonds (distance) C4'-P energy: -23.570
bonds (distance) P-C4' energy: -25.078
flat angles C4'-P-C4' energy: -25.995
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -19.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -162.909429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.909429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.909429 (E_RNA)
where:
Base-Base interactions energy: -58.388
where: short stacking energy: -58.374
Base-Backbone interact. energy: -0.870
local terms energy: -103.651710
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -133.061165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.061165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.061165 (E_RNA)
where:
Base-Base interactions energy: -56.018
where: short stacking energy: -53.638
Base-Backbone interact. energy: -0.744
local terms energy: -76.299289
where:
bonds (distance) C4'-P energy: -20.568
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -13.326
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: 10, replica: 7
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -136.682047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.682047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.682047 (E_RNA)
where:
Base-Base interactions energy: -60.400
where: short stacking energy: -36.399
Base-Backbone interact. energy: -1.273
local terms energy: -75.009027
where:
bonds (distance) C4'-P energy: -22.121
bonds (distance) P-C4' energy: -29.002
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: 2.088
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -400.036090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.036090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.036090 (E_RNA)
where:
Base-Base interactions energy: -273.199
where: short stacking energy: -125.329
Base-Backbone interact. energy: -1.127
local terms energy: -125.709973
where:
bonds (distance) C4'-P energy: -19.437
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -34.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -415.657052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.657052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.657052 (E_RNA)
where:
Base-Base interactions energy: -271.880
where: short stacking energy: -143.815
Base-Backbone interact. energy: -0.123
local terms energy: -143.653553
where:
bonds (distance) C4'-P energy: -29.358
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -31.623
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -45.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -386.556018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.556018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.556018 (E_RNA)
where:
Base-Base interactions energy: -258.197
where: short stacking energy: -118.557
Base-Backbone interact. energy: -0.193
local terms energy: -128.165766
where:
bonds (distance) C4'-P energy: -25.976
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -28.935
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -36.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -326.156393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.156393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.156393 (E_RNA)
where:
Base-Base interactions energy: -217.700
where: short stacking energy: -106.246
Base-Backbone interact. energy: -0.741
local terms energy: -107.715813
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -27.009
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -20.791
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: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -288.274382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.274382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.274382 (E_RNA)
where:
Base-Base interactions energy: -185.866
where: short stacking energy: -99.656
Base-Backbone interact. energy: -0.657
local terms energy: -101.751370
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -23.649
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -22.939
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: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -266.290666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.290666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.290666 (E_RNA)
where:
Base-Base interactions energy: -159.465
where: short stacking energy: -86.037
Base-Backbone interact. energy: -1.327
local terms energy: -105.498439
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -23.794
flat angles C4'-P-C4' energy: -24.006
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -21.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -294.687901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.687901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.687901 (E_RNA)
where:
Base-Base interactions energy: -178.617
where: short stacking energy: -104.859
Base-Backbone interact. energy: -0.616
local terms energy: -115.454791
where:
bonds (distance) C4'-P energy: -26.109
bonds (distance) P-C4' energy: -19.484
flat angles C4'-P-C4' energy: -25.437
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -29.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -153.829396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.829396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.829396 (E_RNA)
where:
Base-Base interactions energy: -64.843
where: short stacking energy: -61.841
Base-Backbone interact. energy: -2.327
local terms energy: -86.659192
where:
bonds (distance) C4'-P energy: -23.288
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -12.100
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: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -149.380287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.380287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.380287 (E_RNA)
where:
Base-Base interactions energy: -61.020
where: short stacking energy: -61.020
Base-Backbone interact. energy: -0.977
local terms energy: -87.383884
where:
bonds (distance) C4'-P energy: -22.481
bonds (distance) P-C4' energy: -19.092
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -15.621
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: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -139.613811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.613811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.613811 (E_RNA)
where:
Base-Base interactions energy: -52.702
where: short stacking energy: -52.702
Base-Backbone interact. energy: 1.319
local terms energy: -88.230904
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -29.233
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -8.397
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -411.715801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.715801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.715801 (E_RNA)
where:
Base-Base interactions energy: -272.544
where: short stacking energy: -139.361
Base-Backbone interact. energy: 0.629
local terms energy: -139.800196
where:
bonds (distance) C4'-P energy: -21.131
bonds (distance) P-C4' energy: -25.260
flat angles C4'-P-C4' energy: -31.004
flat angles P-C4'-P energy: -20.245
tors. eta vs tors. theta energy: -42.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -421.264809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.264809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.264809 (E_RNA)
where:
Base-Base interactions energy: -278.887
where: short stacking energy: -143.200
Base-Backbone interact. energy: 0.322
local terms energy: -142.699080
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -24.701
flat angles C4'-P-C4' energy: -30.275
flat angles P-C4'-P energy: -19.132
tors. eta vs tors. theta energy: -42.389
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: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -382.350027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.350027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.350027 (E_RNA)
where:
Base-Base interactions energy: -259.574
where: short stacking energy: -121.159
Base-Backbone interact. energy: -0.672
local terms energy: -122.104274
where:
bonds (distance) C4'-P energy: -23.635
bonds (distance) P-C4' energy: -24.242
flat angles C4'-P-C4' energy: -23.122
flat angles P-C4'-P energy: -17.518
tors. eta vs tors. theta energy: -33.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -298.501043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.501043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.501043 (E_RNA)
where:
Base-Base interactions energy: -184.155
where: short stacking energy: -105.298
Base-Backbone interact. energy: -0.588
local terms energy: -113.757796
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -29.453
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: -29.932
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: 221
Temperature: 1.100000
Total energy: -320.119046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.119046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.119046 (E_RNA)
where:
Base-Base interactions energy: -199.383
where: short stacking energy: -103.804
Base-Backbone interact. energy: -0.855
local terms energy: -119.881066
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -28.051
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -21.635
tors. eta vs tors. theta energy: -26.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -286.284488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.284488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.284488 (E_RNA)
where:
Base-Base interactions energy: -175.156
where: short stacking energy: -102.950
Base-Backbone interact. energy: -0.699
local terms energy: -110.429358
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -23.026
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -28.539
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: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -263.410197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.410197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.410197 (E_RNA)
where:
Base-Base interactions energy: -154.614
where: short stacking energy: -86.475
Base-Backbone interact. energy: -0.510
local terms energy: -108.286244
where:
bonds (distance) C4'-P energy: -25.805
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -26.830
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -22.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -148.533011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.533011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.533011 (E_RNA)
where:
Base-Base interactions energy: -55.281
where: short stacking energy: -55.137
Base-Backbone interact. energy: -0.404
local terms energy: -92.847439
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -22.279
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -5.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -127.941024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.941024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.941024 (E_RNA)
where:
Base-Base interactions energy: -37.199
where: short stacking energy: -33.001
Base-Backbone interact. energy: -0.452
local terms energy: -90.289617
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -27.050
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: -0.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -135.406575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.406575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.406575 (E_RNA)
where:
Base-Base interactions energy: -59.434
where: short stacking energy: -49.768
Base-Backbone interact. energy: -0.581
local terms energy: -75.391208
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -5.305
tors. eta vs tors. theta energy: -6.694
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -414.068303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.068303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.068303 (E_RNA)
where:
Base-Base interactions energy: -271.317
where: short stacking energy: -138.273
Base-Backbone interact. energy: -0.343
local terms energy: -142.408747
where:
bonds (distance) C4'-P energy: -24.895
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -31.889
flat angles P-C4'-P energy: -19.222
tors. eta vs tors. theta energy: -40.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -401.834795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.834795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.834795 (E_RNA)
where:
Base-Base interactions energy: -263.862
where: short stacking energy: -131.553
Base-Backbone interact. energy: -1.466
local terms energy: -136.507260
where:
bonds (distance) C4'-P energy: -26.256
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -28.471
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -41.780
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: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -398.205549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.205549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.205549 (E_RNA)
where:
Base-Base interactions energy: -263.888
where: short stacking energy: -123.142
Base-Backbone interact. energy: -2.128
local terms energy: -132.189310
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -26.881
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -19.858
tors. eta vs tors. theta energy: -31.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -304.467201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.467201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.467201 (E_RNA)
where:
Base-Base interactions energy: -188.122
where: short stacking energy: -103.615
Base-Backbone interact. energy: -0.685
local terms energy: -115.659442
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -27.599
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -27.914
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: 9
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -302.380071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.380071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.380071 (E_RNA)
where:
Base-Base interactions energy: -193.104
where: short stacking energy: -105.902
Base-Backbone interact. energy: -0.590
local terms energy: -108.685371
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -23.904
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -23.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -285.956396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.956396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.956396 (E_RNA)
where:
Base-Base interactions energy: -173.255
where: short stacking energy: -89.538
Base-Backbone interact. energy: -0.114
local terms energy: -112.587857
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -27.237
flat angles C4'-P-C4' energy: -28.846
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -23.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -248.328054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.328054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.328054 (E_RNA)
where:
Base-Base interactions energy: -141.668
where: short stacking energy: -80.748
Base-Backbone interact. energy: -0.573
local terms energy: -106.086238
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -25.733
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -142.061610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.061610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.061610 (E_RNA)
where:
Base-Base interactions energy: -57.956
where: short stacking energy: -53.099
Base-Backbone interact. energy: 0.324
local terms energy: -84.429614
where:
bonds (distance) C4'-P energy: -24.215
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -6.107
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: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -139.488389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.488389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.488389 (E_RNA)
where:
Base-Base interactions energy: -57.279
where: short stacking energy: -57.070
Base-Backbone interact. energy: -0.145
local terms energy: -82.064487
where:
bonds (distance) C4'-P energy: -25.198
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -5.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -134.137165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.137165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.137165 (E_RNA)
where:
Base-Base interactions energy: -55.120
where: short stacking energy: -42.808
Base-Backbone interact. energy: -0.008
local terms energy: -79.009700
where:
bonds (distance) C4'-P energy: -24.393
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -9.526
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -413.520647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.520647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.520647 (E_RNA)
where:
Base-Base interactions energy: -269.201
where: short stacking energy: -136.265
Base-Backbone interact. energy: -0.396
local terms energy: -143.923699
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -25.738
flat angles C4'-P-C4' energy: -27.896
flat angles P-C4'-P energy: -22.124
tors. eta vs tors. theta energy: -41.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -403.155716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.155716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.155716 (E_RNA)
where:
Base-Base interactions energy: -267.634
where: short stacking energy: -125.927
Base-Backbone interact. energy: -1.101
local terms energy: -134.421416
where:
bonds (distance) C4'-P energy: -26.979
bonds (distance) P-C4' energy: -28.751
flat angles C4'-P-C4' energy: -23.294
flat angles P-C4'-P energy: -20.855
tors. eta vs tors. theta energy: -34.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -375.201148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.201148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.201148 (E_RNA)
where:
Base-Base interactions energy: -240.160
where: short stacking energy: -123.018
Base-Backbone interact. energy: -0.614
local terms energy: -134.427728
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -31.059
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -38.133
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: 9
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -321.291365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.291365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.291365 (E_RNA)
where:
Base-Base interactions energy: -203.521
where: short stacking energy: -111.205
Base-Backbone interact. energy: -0.740
local terms energy: -117.030461
where:
bonds (distance) C4'-P energy: -28.736
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -21.506
flat angles P-C4'-P energy: -17.805
tors. eta vs tors. theta energy: -28.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -303.719771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.719771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.719771 (E_RNA)
where:
Base-Base interactions energy: -174.247
where: short stacking energy: -101.066
Base-Backbone interact. energy: -0.043
local terms energy: -129.429989
where:
bonds (distance) C4'-P energy: -20.845
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -32.647
flat angles P-C4'-P energy: -20.023
tors. eta vs tors. theta energy: -31.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -273.985974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.985974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.985974 (E_RNA)
where:
Base-Base interactions energy: -163.857
where: short stacking energy: -89.967
Base-Backbone interact. energy: -0.432
local terms energy: -109.697279
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -29.243
flat angles C4'-P-C4' energy: -25.325
flat angles P-C4'-P energy: -23.147
tors. eta vs tors. theta energy: -14.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -264.610241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.610241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.610241 (E_RNA)
where:
Base-Base interactions energy: -155.882
where: short stacking energy: -83.327
Base-Backbone interact. energy: -0.850
local terms energy: -107.877830
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -24.964
flat angles C4'-P-C4' energy: -26.867
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -20.370
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: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -153.646594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.646594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.646594 (E_RNA)
where:
Base-Base interactions energy: -65.094
where: short stacking energy: -61.216
Base-Backbone interact. energy: -0.403
local terms energy: -88.149872
where:
bonds (distance) C4'-P energy: -26.057
bonds (distance) P-C4' energy: -27.867
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -146.293493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.293493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.293493 (E_RNA)
where:
Base-Base interactions energy: -62.593
where: short stacking energy: -62.593
Base-Backbone interact. energy: -1.203
local terms energy: -82.497621
where:
bonds (distance) C4'-P energy: -24.986
bonds (distance) P-C4' energy: -22.854
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -6.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -131.087285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.087285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.087285 (E_RNA)
where:
Base-Base interactions energy: -44.174
where: short stacking energy: -40.290
Base-Backbone interact. energy: -0.340
local terms energy: -86.572535
where:
bonds (distance) C4'-P energy: -20.456
bonds (distance) P-C4' energy: -24.767
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -402.398294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.398294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.398294 (E_RNA)
where:
Base-Base interactions energy: -266.866
where: short stacking energy: -124.090
Base-Backbone interact. energy: -1.958
local terms energy: -133.574301
where:
bonds (distance) C4'-P energy: -22.195
bonds (distance) P-C4' energy: -28.080
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -24.159
tors. eta vs tors. theta energy: -34.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -409.384553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.384553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.384553 (E_RNA)
where:
Base-Base interactions energy: -263.241
where: short stacking energy: -141.474
Base-Backbone interact. energy: -0.642
local terms energy: -145.501486
where:
bonds (distance) C4'-P energy: -27.371
bonds (distance) P-C4' energy: -27.198
flat angles C4'-P-C4' energy: -27.057
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -46.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -389.430264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.430264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.430264 (E_RNA)
where:
Base-Base interactions energy: -257.880
where: short stacking energy: -122.256
Base-Backbone interact. energy: -0.632
local terms energy: -130.918192
where:
bonds (distance) C4'-P energy: -27.618
bonds (distance) P-C4' energy: -24.848
flat angles C4'-P-C4' energy: -22.561
flat angles P-C4'-P energy: -21.305
tors. eta vs tors. theta energy: -34.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -336.657974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.657974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.657974 (E_RNA)
where:
Base-Base interactions energy: -205.661
where: short stacking energy: -119.535
Base-Backbone interact. energy: -0.895
local terms energy: -130.101646
where:
bonds (distance) C4'-P energy: -27.465
bonds (distance) P-C4' energy: -24.275
flat angles C4'-P-C4' energy: -28.271
flat angles P-C4'-P energy: -17.156
tors. eta vs tors. theta energy: -32.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -282.325063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.325063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.325063 (E_RNA)
where:
Base-Base interactions energy: -172.624
where: short stacking energy: -96.551
Base-Backbone interact. energy: -0.079
local terms energy: -109.621302
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -19.132
tors. eta vs tors. theta energy: -25.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -259.647715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.647715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.647715 (E_RNA)
where:
Base-Base interactions energy: -159.349
where: short stacking energy: -88.941
Base-Backbone interact. energy: -0.208
local terms energy: -100.090432
where:
bonds (distance) C4'-P energy: -26.793
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -26.169
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -274.845273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.845273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.845273 (E_RNA)
where:
Base-Base interactions energy: -170.693
where: short stacking energy: -104.043
Base-Backbone interact. energy: -0.055
local terms energy: -104.097617
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -25.080
flat angles C4'-P-C4' energy: -23.783
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -26.562
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: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -143.012071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.012071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.012071 (E_RNA)
where:
Base-Base interactions energy: -60.481
where: short stacking energy: -59.095
Base-Backbone interact. energy: -1.014
local terms energy: -81.517067
where:
bonds (distance) C4'-P energy: -20.693
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -1.580
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: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -123.515260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.515260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.515260 (E_RNA)
where:
Base-Base interactions energy: -50.296
where: short stacking energy: -43.540
Base-Backbone interact. energy: -3.335
local terms energy: -69.883950
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -21.410
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: 1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -127.770902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.770902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.770902 (E_RNA)
where:
Base-Base interactions energy: -39.326
where: short stacking energy: -38.384
Base-Backbone interact. energy: -1.852
local terms energy: -86.592802
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -25.442
flat angles C4'-P-C4' energy: -27.865
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: 2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -399.621706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.621706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.621706 (E_RNA)
where:
Base-Base interactions energy: -271.658
where: short stacking energy: -121.981
Base-Backbone interact. energy: -0.854
local terms energy: -127.109130
where:
bonds (distance) C4'-P energy: -25.599
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -28.403
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -35.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -399.958566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.958566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.958566 (E_RNA)
where:
Base-Base interactions energy: -261.192
where: short stacking energy: -137.421
Base-Backbone interact. energy: -0.128
local terms energy: -138.638374
where:
bonds (distance) C4'-P energy: -25.749
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -31.844
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -38.799
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: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -402.511696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.511696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.511696 (E_RNA)
where:
Base-Base interactions energy: -266.727
where: short stacking energy: -139.466
Base-Backbone interact. energy: -0.332
local terms energy: -135.452412
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -29.103
flat angles P-C4'-P energy: -25.521
tors. eta vs tors. theta energy: -41.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -325.841439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.841439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.841439 (E_RNA)
where:
Base-Base interactions energy: -196.537
where: short stacking energy: -119.397
Base-Backbone interact. energy: -0.792
local terms energy: -128.512831
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -27.922
flat angles C4'-P-C4' energy: -29.691
flat angles P-C4'-P energy: -18.938
tors. eta vs tors. theta energy: -26.709
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: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -310.439808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.439808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.439808 (E_RNA)
where:
Base-Base interactions energy: -196.035
where: short stacking energy: -121.205
Base-Backbone interact. energy: -0.001
local terms energy: -114.403415
where:
bonds (distance) C4'-P energy: -23.575
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -25.459
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -33.170
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: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -295.540789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.540789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.540789 (E_RNA)
where:
Base-Base interactions energy: -178.188
where: short stacking energy: -101.009
Base-Backbone interact. energy: -0.065
local terms energy: -117.288572
where:
bonds (distance) C4'-P energy: -26.408
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -19.972
tors. eta vs tors. theta energy: -27.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -241.507466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.507466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.507466 (E_RNA)
where:
Base-Base interactions energy: -145.196
where: short stacking energy: -74.161
Base-Backbone interact. energy: -0.137
local terms energy: -96.173765
where:
bonds (distance) C4'-P energy: -18.598
bonds (distance) P-C4' energy: -20.117
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -14.507
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: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -144.718027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.718027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.718027 (E_RNA)
where:
Base-Base interactions energy: -63.415
where: short stacking energy: -46.414
Base-Backbone interact. energy: -1.117
local terms energy: -80.186083
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -26.462
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -15.556
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: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -130.273639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.273639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.273639 (E_RNA)
where:
Base-Base interactions energy: -54.456
where: short stacking energy: -45.154
Base-Backbone interact. energy: -0.316
local terms energy: -75.501529
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: 2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -142.841187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.841187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.841187 (E_RNA)
where:
Base-Base interactions energy: -52.631
where: short stacking energy: -51.238
Base-Backbone interact. energy: -0.473
local terms energy: -89.736794
where:
bonds (distance) C4'-P energy: -24.421
bonds (distance) P-C4' energy: -26.071
flat angles C4'-P-C4' energy: -26.004
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -2.979
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -402.404560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.404560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.404560 (E_RNA)
where:
Base-Base interactions energy: -262.255
where: short stacking energy: -131.133
Base-Backbone interact. energy: 0.038
local terms energy: -140.187571
where:
bonds (distance) C4'-P energy: -25.933
bonds (distance) P-C4' energy: -25.397
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -22.857
tors. eta vs tors. theta energy: -37.557
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: 4
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -395.032012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.032012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.032012 (E_RNA)
where:
Base-Base interactions energy: -267.615
where: short stacking energy: -118.753
Base-Backbone interact. energy: -1.452
local terms energy: -125.965000
where:
bonds (distance) C4'-P energy: -20.244
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -29.668
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -39.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -385.966974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.966974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.966974 (E_RNA)
where:
Base-Base interactions energy: -253.856
where: short stacking energy: -129.188
Base-Backbone interact. energy: -0.640
local terms energy: -131.471361
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -26.550
flat angles C4'-P-C4' energy: -26.817
flat angles P-C4'-P energy: -19.326
tors. eta vs tors. theta energy: -37.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -336.122091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.122091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.122091 (E_RNA)
where:
Base-Base interactions energy: -213.423
where: short stacking energy: -115.430
Base-Backbone interact. energy: -0.503
local terms energy: -122.196367
where:
bonds (distance) C4'-P energy: -21.740
bonds (distance) P-C4' energy: -25.189
flat angles C4'-P-C4' energy: -26.592
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -32.096
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: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -296.856959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.856959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.856959 (E_RNA)
where:
Base-Base interactions energy: -179.347
where: short stacking energy: -100.790
Base-Backbone interact. energy: -0.298
local terms energy: -117.211649
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -24.829
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -27.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -260.107859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.107859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.107859 (E_RNA)
where:
Base-Base interactions energy: -143.939
where: short stacking energy: -76.382
Base-Backbone interact. energy: -0.876
local terms energy: -115.293599
where:
bonds (distance) C4'-P energy: -27.411
bonds (distance) P-C4' energy: -29.113
flat angles C4'-P-C4' energy: -24.360
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -248.323994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.323994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.323994 (E_RNA)
where:
Base-Base interactions energy: -145.907
where: short stacking energy: -82.248
Base-Backbone interact. energy: 2.521
local terms energy: -104.937312
where:
bonds (distance) C4'-P energy: -24.532
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -27.298
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -143.322935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.322935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.322935 (E_RNA)
where:
Base-Base interactions energy: -57.001
where: short stacking energy: -57.001
Base-Backbone interact. energy: -0.120
local terms energy: -86.201876
where:
bonds (distance) C4'-P energy: -30.015
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -16.513
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: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -152.269930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.269930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.269930 (E_RNA)
where:
Base-Base interactions energy: -67.391
where: short stacking energy: -58.310
Base-Backbone interact. energy: -0.626
local terms energy: -84.252676
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -9.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -139.540212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.540212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.540212 (E_RNA)
where:
Base-Base interactions energy: -52.862
where: short stacking energy: -29.402
Base-Backbone interact. energy: -0.782
local terms energy: -85.896790
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -27.724
flat angles P-C4'-P energy: -15.338
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -391.777936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.777936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.777936 (E_RNA)
where:
Base-Base interactions energy: -255.940
where: short stacking energy: -129.365
Base-Backbone interact. energy: -0.671
local terms energy: -135.167206
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -28.136
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -34.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -430.403979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.403979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.403979 (E_RNA)
where:
Base-Base interactions energy: -288.899
where: short stacking energy: -136.974
Base-Backbone interact. energy: -0.982
local terms energy: -140.523355
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -28.925
flat angles C4'-P-C4' energy: -27.886
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -37.667
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: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -383.591080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.591080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.591080 (E_RNA)
where:
Base-Base interactions energy: -248.212
where: short stacking energy: -129.191
Base-Backbone interact. energy: -0.046
local terms energy: -135.333609
where:
bonds (distance) C4'-P energy: -27.681
bonds (distance) P-C4' energy: -24.966
flat angles C4'-P-C4' energy: -22.396
flat angles P-C4'-P energy: -21.012
tors. eta vs tors. theta energy: -39.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -326.154532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.154532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.154532 (E_RNA)
where:
Base-Base interactions energy: -209.549
where: short stacking energy: -113.635
Base-Backbone interact. energy: 1.471
local terms energy: -118.076282
where:
bonds (distance) C4'-P energy: -24.808
bonds (distance) P-C4' energy: -25.729
flat angles C4'-P-C4' energy: -28.369
flat angles P-C4'-P energy: -18.707
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -296.903043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.903043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.903043 (E_RNA)
where:
Base-Base interactions energy: -179.311
where: short stacking energy: -96.126
Base-Backbone interact. energy: -0.244
local terms energy: -117.348179
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -27.071
flat angles C4'-P-C4' energy: -26.378
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -24.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -242.753400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.753400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.753400 (E_RNA)
where:
Base-Base interactions energy: -143.370
where: short stacking energy: -83.669
Base-Backbone interact. energy: -0.361
local terms energy: -99.022128
where:
bonds (distance) C4'-P energy: -22.388
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -28.699
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -21.326
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: 3
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -269.256129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.256129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.256129 (E_RNA)
where:
Base-Base interactions energy: -173.561
where: short stacking energy: -96.262
Base-Backbone interact. energy: -0.125
local terms energy: -95.570082
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -23.068
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -24.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -138.273348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.273348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.273348 (E_RNA)
where:
Base-Base interactions energy: -54.094
where: short stacking energy: -51.631
Base-Backbone interact. energy: -0.161
local terms energy: -84.017586
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -23.924
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -146.951455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.951455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.951455 (E_RNA)
where:
Base-Base interactions energy: -56.883
where: short stacking energy: -42.466
Base-Backbone interact. energy: -1.451
local terms energy: -88.616862
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -28.339
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -145.038521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.038521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.038521 (E_RNA)
where:
Base-Base interactions energy: -68.687
where: short stacking energy: -40.932
Base-Backbone interact. energy: -1.250
local terms energy: -75.101313
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -26.054
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -13.146
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -431.696200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.696200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.696200 (E_RNA)
where:
Base-Base interactions energy: -283.400
where: short stacking energy: -134.835
Base-Backbone interact. energy: -1.955
local terms energy: -146.341415
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -29.554
flat angles C4'-P-C4' energy: -29.734
flat angles P-C4'-P energy: -22.196
tors. eta vs tors. theta energy: -38.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -382.356071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.356071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.356071 (E_RNA)
where:
Base-Base interactions energy: -253.416
where: short stacking energy: -129.779
Base-Backbone interact. energy: -0.469
local terms energy: -128.471395
where:
bonds (distance) C4'-P energy: -23.392
bonds (distance) P-C4' energy: -27.692
flat angles C4'-P-C4' energy: -26.939
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -36.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -388.732463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.732463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.732463 (E_RNA)
where:
Base-Base interactions energy: -256.224
where: short stacking energy: -123.448
Base-Backbone interact. energy: -0.734
local terms energy: -131.774546
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -27.782
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -22.328
tors. eta vs tors. theta energy: -39.383
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: 4, replica: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -342.369875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.369875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.369875 (E_RNA)
where:
Base-Base interactions energy: -218.288
where: short stacking energy: -116.010
Base-Backbone interact. energy: -0.993
local terms energy: -123.089176
where:
bonds (distance) C4'-P energy: -26.452
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -24.923
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -32.800
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: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -286.406452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.406452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.406452 (E_RNA)
where:
Base-Base interactions energy: -175.009
where: short stacking energy: -90.970
Base-Backbone interact. energy: 0.518
local terms energy: -111.915605
where:
bonds (distance) C4'-P energy: -21.048
bonds (distance) P-C4' energy: -25.953
flat angles C4'-P-C4' energy: -26.551
flat angles P-C4'-P energy: -17.101
tors. eta vs tors. theta energy: -21.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -280.855313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.855313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.855313 (E_RNA)
where:
Base-Base interactions energy: -164.344
where: short stacking energy: -110.270
Base-Backbone interact. energy: -0.073
local terms energy: -116.438014
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -27.995
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -29.807
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: 3
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -272.895314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.895314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.895314 (E_RNA)
where:
Base-Base interactions energy: -164.934
where: short stacking energy: -83.929
Base-Backbone interact. energy: -0.226
local terms energy: -107.734992
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -27.747
flat angles C4'-P-C4' energy: -22.754
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -155.462645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.462645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.462645 (E_RNA)
where:
Base-Base interactions energy: -62.017
where: short stacking energy: -54.262
Base-Backbone interact. energy: 0.252
local terms energy: -93.698421
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -27.556
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -8.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -138.516282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.516282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.516282 (E_RNA)
where:
Base-Base interactions energy: -55.037
where: short stacking energy: -50.876
Base-Backbone interact. energy: -0.358
local terms energy: -83.121401
where:
bonds (distance) C4'-P energy: -22.139
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -133.678977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.678977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.678977 (E_RNA)
where:
Base-Base interactions energy: -60.133
where: short stacking energy: -56.073
Base-Backbone interact. energy: -0.454
local terms energy: -73.092034
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -10.416
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -420.330310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.330310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.330310 (E_RNA)
where:
Base-Base interactions energy: -280.031
where: short stacking energy: -140.300
Base-Backbone interact. energy: -0.007
local terms energy: -140.292040
where:
bonds (distance) C4'-P energy: -26.269
bonds (distance) P-C4' energy: -28.219
flat angles C4'-P-C4' energy: -26.461
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -38.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -406.616245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.616245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.616245 (E_RNA)
where:
Base-Base interactions energy: -276.514
where: short stacking energy: -135.429
Base-Backbone interact. energy: -0.504
local terms energy: -129.598388
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -22.255
flat angles C4'-P-C4' energy: -28.272
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -38.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -351.145342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.145342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.145342 (E_RNA)
where:
Base-Base interactions energy: -226.961
where: short stacking energy: -120.694
Base-Backbone interact. energy: -2.248
local terms energy: -121.936279
where:
bonds (distance) C4'-P energy: -23.942
bonds (distance) P-C4' energy: -26.580
flat angles C4'-P-C4' energy: -24.758
flat angles P-C4'-P energy: -16.928
tors. eta vs tors. theta energy: -29.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -339.653605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.653605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.653605 (E_RNA)
where:
Base-Base interactions energy: -217.359
where: short stacking energy: -108.633
Base-Backbone interact. energy: -1.170
local terms energy: -121.124133
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -28.248
flat angles C4'-P-C4' energy: -27.993
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -27.330
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: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -286.164594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.164594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.164594 (E_RNA)
where:
Base-Base interactions energy: -172.648
where: short stacking energy: -99.366
Base-Backbone interact. energy: -0.746
local terms energy: -112.770298
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -26.898
flat angles C4'-P-C4' energy: -26.055
flat angles P-C4'-P energy: -17.962
tors. eta vs tors. theta energy: -23.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -253.562204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.562204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.562204 (E_RNA)
where:
Base-Base interactions energy: -151.869
where: short stacking energy: -89.591
Base-Backbone interact. energy: -0.154
local terms energy: -101.539464
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -23.859
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -20.633
tors. eta vs tors. theta energy: -24.445
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: 3
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -272.447545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.447545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.447545 (E_RNA)
where:
Base-Base interactions energy: -171.127
where: short stacking energy: -98.376
Base-Backbone interact. energy: 1.208
local terms energy: -102.528281
where:
bonds (distance) C4'-P energy: -22.483
bonds (distance) P-C4' energy: -23.862
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -21.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -154.727317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.727317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.727317 (E_RNA)
where:
Base-Base interactions energy: -65.793
where: short stacking energy: -53.995
Base-Backbone interact. energy: -0.818
local terms energy: -88.115860
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -23.600
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -16.353
tors. eta vs tors. theta energy: -4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -147.877871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.877871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.877871 (E_RNA)
where:
Base-Base interactions energy: -78.432
where: short stacking energy: -56.645
Base-Backbone interact. energy: 0.834
local terms energy: -70.278953
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: 1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -135.547444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.547444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.547444 (E_RNA)
where:
Base-Base interactions energy: -46.165
where: short stacking energy: -35.167
Base-Backbone interact. energy: -0.274
local terms energy: -89.107620
where:
bonds (distance) C4'-P energy: -22.862
bonds (distance) P-C4' energy: -21.748
flat angles C4'-P-C4' energy: -23.542
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -5.403
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -419.070914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.070914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.070914 (E_RNA)
where:
Base-Base interactions energy: -276.653
where: short stacking energy: -129.711
Base-Backbone interact. energy: -1.905
local terms energy: -140.512628
where:
bonds (distance) C4'-P energy: -27.769
bonds (distance) P-C4' energy: -27.398
flat angles C4'-P-C4' energy: -28.988
flat angles P-C4'-P energy: -19.144
tors. eta vs tors. theta energy: -37.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -402.073385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.073385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.073385 (E_RNA)
where:
Base-Base interactions energy: -261.913
where: short stacking energy: -127.982
Base-Backbone interact. energy: -0.503
local terms energy: -139.657764
where:
bonds (distance) C4'-P energy: -27.576
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -28.183
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -39.336
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: 230
Temperature: 1.000000
Total energy: -343.718919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.718919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.718919 (E_RNA)
where:
Base-Base interactions energy: -214.282
where: short stacking energy: -115.149
Base-Backbone interact. energy: -0.127
local terms energy: -129.309999
where:
bonds (distance) C4'-P energy: -22.814
bonds (distance) P-C4' energy: -24.464
flat angles C4'-P-C4' energy: -26.536
flat angles P-C4'-P energy: -18.989
tors. eta vs tors. theta energy: -36.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -359.276608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.276608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.276608 (E_RNA)
where:
Base-Base interactions energy: -227.271
where: short stacking energy: -111.946
Base-Backbone interact. energy: -0.856
local terms energy: -131.149285
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -24.114
flat angles C4'-P-C4' energy: -28.379
flat angles P-C4'-P energy: -20.227
tors. eta vs tors. theta energy: -34.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -285.332124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.332124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.332124 (E_RNA)
where:
Base-Base interactions energy: -167.769
where: short stacking energy: -91.221
Base-Backbone interact. energy: -1.629
local terms energy: -115.934406
where:
bonds (distance) C4'-P energy: -27.533
bonds (distance) P-C4' energy: -24.044
flat angles C4'-P-C4' energy: -27.073
flat angles P-C4'-P energy: -15.872
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -259.218662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.218662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.218662 (E_RNA)
where:
Base-Base interactions energy: -159.181
where: short stacking energy: -91.543
Base-Backbone interact. energy: -0.625
local terms energy: -99.412618
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -25.358
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -21.793
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: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -269.723680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.723680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.723680 (E_RNA)
where:
Base-Base interactions energy: -171.399
where: short stacking energy: -82.751
Base-Backbone interact. energy: 0.624
local terms energy: -98.949405
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -22.908
flat angles P-C4'-P energy: -19.047
tors. eta vs tors. theta energy: -18.522
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: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -138.723027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.723027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.723027 (E_RNA)
where:
Base-Base interactions energy: -50.138
where: short stacking energy: -47.417
Base-Backbone interact. energy: 0.317
local terms energy: -88.901614
where:
bonds (distance) C4'-P energy: -24.961
bonds (distance) P-C4' energy: -26.491
flat angles C4'-P-C4' energy: -26.113
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -135.474787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.474787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.474787 (E_RNA)
where:
Base-Base interactions energy: -56.716
where: short stacking energy: -45.430
Base-Backbone interact. energy: -0.544
local terms energy: -78.214569
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -12.224
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: 10
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -120.587472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.587472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.587472 (E_RNA)
where:
Base-Base interactions energy: -52.686
where: short stacking energy: -48.581
Base-Backbone interact. energy: -0.760
local terms energy: -67.141170
where:
bonds (distance) C4'-P energy: -24.658
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -6.808
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -418.269326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.269326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.269326 (E_RNA)
where:
Base-Base interactions energy: -279.055
where: short stacking energy: -133.372
Base-Backbone interact. energy: -0.709
local terms energy: -138.505117
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -28.431
flat angles P-C4'-P energy: -20.856
tors. eta vs tors. theta energy: -38.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -399.509215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.509215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.509215 (E_RNA)
where:
Base-Base interactions energy: -258.424
where: short stacking energy: -135.078
Base-Backbone interact. energy: -0.148
local terms energy: -140.937326
where:
bonds (distance) C4'-P energy: -24.928
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -31.170
flat angles P-C4'-P energy: -21.874
tors. eta vs tors. theta energy: -41.887
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: 231
Temperature: 1.000000
Total energy: -337.879656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.879656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.879656 (E_RNA)
where:
Base-Base interactions energy: -210.594
where: short stacking energy: -109.422
Base-Backbone interact. energy: 0.710
local terms energy: -127.995792
where:
bonds (distance) C4'-P energy: -26.269
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -26.641
flat angles P-C4'-P energy: -18.747
tors. eta vs tors. theta energy: -30.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -353.012698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.012698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.012698 (E_RNA)
where:
Base-Base interactions energy: -229.713
where: short stacking energy: -121.836
Base-Backbone interact. energy: -1.159
local terms energy: -122.140639
where:
bonds (distance) C4'-P energy: -19.109
bonds (distance) P-C4' energy: -23.770
flat angles C4'-P-C4' energy: -25.617
flat angles P-C4'-P energy: -21.300
tors. eta vs tors. theta energy: -32.345
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: 8
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -282.345119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.345119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.345119 (E_RNA)
where:
Base-Base interactions energy: -184.068
where: short stacking energy: -90.792
Base-Backbone interact. energy: -0.755
local terms energy: -97.521768
where:
bonds (distance) C4'-P energy: -23.118
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -23.302
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -296.779431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.779431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.779431 (E_RNA)
where:
Base-Base interactions energy: -177.199
where: short stacking energy: -102.246
Base-Backbone interact. energy: -0.094
local terms energy: -119.486428
where:
bonds (distance) C4'-P energy: -20.912
bonds (distance) P-C4' energy: -24.418
flat angles C4'-P-C4' energy: -22.999
flat angles P-C4'-P energy: -18.532
tors. eta vs tors. theta energy: -32.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -269.361599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.361599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.361599 (E_RNA)
where:
Base-Base interactions energy: -161.554
where: short stacking energy: -93.803
Base-Backbone interact. energy: -0.128
local terms energy: -107.679028
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -29.992
flat angles C4'-P-C4' energy: -27.694
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -20.646
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: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -155.567921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.567921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.567921 (E_RNA)
where:
Base-Base interactions energy: -71.850
where: short stacking energy: -70.965
Base-Backbone interact. energy: 0.585
local terms energy: -84.303309
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -24.145
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -0.169
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: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -134.599319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.599319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.599319 (E_RNA)
where:
Base-Base interactions energy: -64.026
where: short stacking energy: -62.795
Base-Backbone interact. energy: 3.426
local terms energy: -73.998402
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -25.486
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -3.645
tors. eta vs tors. theta energy: -10.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -131.465087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.465087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.465087 (E_RNA)
where:
Base-Base interactions energy: -49.685
where: short stacking energy: -49.685
Base-Backbone interact. energy: -1.174
local terms energy: -80.606103
where:
bonds (distance) C4'-P energy: -24.104
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -23.325
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -425.874843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.874843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.874843 (E_RNA)
where:
Base-Base interactions energy: -276.809
where: short stacking energy: -131.965
Base-Backbone interact. energy: -0.065
local terms energy: -149.000682
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -30.816
flat angles C4'-P-C4' energy: -30.037
flat angles P-C4'-P energy: -22.543
tors. eta vs tors. theta energy: -38.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -398.847937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.847937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.847937 (E_RNA)
where:
Base-Base interactions energy: -259.428
where: short stacking energy: -131.526
Base-Backbone interact. energy: -0.229
local terms energy: -139.190032
where:
bonds (distance) C4'-P energy: -28.604
bonds (distance) P-C4' energy: -26.521
flat angles C4'-P-C4' energy: -28.577
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: -35.742
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: 1
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -344.331268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.331268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.331268 (E_RNA)
where:
Base-Base interactions energy: -210.289
where: short stacking energy: -113.917
Base-Backbone interact. energy: -0.559
local terms energy: -133.482826
where:
bonds (distance) C4'-P energy: -27.426
bonds (distance) P-C4' energy: -28.714
flat angles C4'-P-C4' energy: -24.958
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: -29.550
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: 9
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -334.364193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.364193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.364193 (E_RNA)
where:
Base-Base interactions energy: -202.233
where: short stacking energy: -93.781
Base-Backbone interact. energy: -1.713
local terms energy: -130.418653
where:
bonds (distance) C4'-P energy: -27.445
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -30.622
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -30.069
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: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -277.231392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.231392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.231392 (E_RNA)
where:
Base-Base interactions energy: -178.181
where: short stacking energy: -86.111
Base-Backbone interact. energy: -0.181
local terms energy: -98.869292
where:
bonds (distance) C4'-P energy: -21.665
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -25.451
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -15.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -290.229570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.229570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.229570 (E_RNA)
where:
Base-Base interactions energy: -180.851
where: short stacking energy: -92.590
Base-Backbone interact. energy: 0.599
local terms energy: -109.977536
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -23.442
flat angles C4'-P-C4' energy: -22.976
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -22.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -264.901428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.901428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.901428 (E_RNA)
where:
Base-Base interactions energy: -162.712
where: short stacking energy: -90.684
Base-Backbone interact. energy: -0.158
local terms energy: -102.031526
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -26.111
flat angles C4'-P-C4' energy: -24.633
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -164.038409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.038409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.038409 (E_RNA)
where:
Base-Base interactions energy: -66.834
where: short stacking energy: -65.240
Base-Backbone interact. energy: -0.006
local terms energy: -97.197926
where:
bonds (distance) C4'-P energy: -20.192
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -23.332
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -19.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -136.197768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.197768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.197768 (E_RNA)
where:
Base-Base interactions energy: -72.169
where: short stacking energy: -56.165
Base-Backbone interact. energy: -1.693
local terms energy: -62.335647
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -19.976
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -3.077
tors. eta vs tors. theta energy: -4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -130.304641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.304641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.304641 (E_RNA)
where:
Base-Base interactions energy: -44.989
where: short stacking energy: -34.749
Base-Backbone interact. energy: -1.828
local terms energy: -83.486988
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -28.233
flat angles C4'-P-C4' energy: -25.554
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -0.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -401.132352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.132352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.132352 (E_RNA)
where:
Base-Base interactions energy: -265.159
where: short stacking energy: -125.031
Base-Backbone interact. energy: -0.745
local terms energy: -135.227767
where:
bonds (distance) C4'-P energy: -27.539
bonds (distance) P-C4' energy: -25.352
flat angles C4'-P-C4' energy: -27.958
flat angles P-C4'-P energy: -21.890
tors. eta vs tors. theta energy: -32.489
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: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -400.534914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.534914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.534914 (E_RNA)
where:
Base-Base interactions energy: -266.417
where: short stacking energy: -133.212
Base-Backbone interact. energy: -0.580
local terms energy: -133.537709
where:
bonds (distance) C4'-P energy: -25.723
bonds (distance) P-C4' energy: -27.441
flat angles C4'-P-C4' energy: -27.890
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -36.372
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: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -353.514372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.514372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.514372 (E_RNA)
where:
Base-Base interactions energy: -214.717
where: short stacking energy: -125.266
Base-Backbone interact. energy: -1.776
local terms energy: -137.020748
where:
bonds (distance) C4'-P energy: -24.758
bonds (distance) P-C4' energy: -29.110
flat angles C4'-P-C4' energy: -29.193
flat angles P-C4'-P energy: -23.322
tors. eta vs tors. theta energy: -30.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -313.201763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.201763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.201763 (E_RNA)
where:
Base-Base interactions energy: -191.443
where: short stacking energy: -97.525
Base-Backbone interact. energy: -0.868
local terms energy: -120.890836
where:
bonds (distance) C4'-P energy: -24.020
bonds (distance) P-C4' energy: -29.427
flat angles C4'-P-C4' energy: -26.610
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -24.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -315.687785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.687785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.687785 (E_RNA)
where:
Base-Base interactions energy: -207.981
where: short stacking energy: -112.936
Base-Backbone interact. energy: -0.923
local terms energy: -106.784321
where:
bonds (distance) C4'-P energy: -23.346
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -22.359
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -24.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -271.580902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.580902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.580902 (E_RNA)
where:
Base-Base interactions energy: -166.413
where: short stacking energy: -94.232
Base-Backbone interact. energy: -0.022
local terms energy: -105.146040
where:
bonds (distance) C4'-P energy: -21.532
bonds (distance) P-C4' energy: -27.866
flat angles C4'-P-C4' energy: -23.619
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -20.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -272.509687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.509687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.509687 (E_RNA)
where:
Base-Base interactions energy: -173.889
where: short stacking energy: -93.778
Base-Backbone interact. energy: -0.570
local terms energy: -98.050599
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -14.893
tors. eta vs tors. theta energy: -21.747
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: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -135.544152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.544152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.544152 (E_RNA)
where:
Base-Base interactions energy: -49.915
where: short stacking energy: -49.372
Base-Backbone interact. energy: -0.735
local terms energy: -84.893459
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -26.705
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -135.944284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.944284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.944284 (E_RNA)
where:
Base-Base interactions energy: -45.408
where: short stacking energy: -45.408
Base-Backbone interact. energy: -0.071
local terms energy: -90.465070
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -24.668
flat angles P-C4'-P energy: -16.167
tors. eta vs tors. theta energy: -4.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -140.329278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.329278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.329278 (E_RNA)
where:
Base-Base interactions energy: -63.487
where: short stacking energy: -60.880
Base-Backbone interact. energy: -0.191
local terms energy: -76.650715
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -23.717
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -9.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -417.319847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.319847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.319847 (E_RNA)
where:
Base-Base interactions energy: -280.431
where: short stacking energy: -137.119
Base-Backbone interact. energy: -0.163
local terms energy: -136.725656
where:
bonds (distance) C4'-P energy: -27.062
bonds (distance) P-C4' energy: -28.240
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -40.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -408.994429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.994429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.994429 (E_RNA)
where:
Base-Base interactions energy: -264.895
where: short stacking energy: -129.218
Base-Backbone interact. energy: -0.296
local terms energy: -143.803558
where:
bonds (distance) C4'-P energy: -23.693
bonds (distance) P-C4' energy: -29.407
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -40.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -353.596652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.596652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.596652 (E_RNA)
where:
Base-Base interactions energy: -220.501
where: short stacking energy: -116.220
Base-Backbone interact. energy: -0.492
local terms energy: -132.603744
where:
bonds (distance) C4'-P energy: -28.907
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -24.464
flat angles P-C4'-P energy: -18.860
tors. eta vs tors. theta energy: -34.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -328.776932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.776932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.776932 (E_RNA)
where:
Base-Base interactions energy: -212.820
where: short stacking energy: -111.816
Base-Backbone interact. energy: -2.667
local terms energy: -113.289684
where:
bonds (distance) C4'-P energy: -24.632
bonds (distance) P-C4' energy: -28.206
flat angles C4'-P-C4' energy: -24.526
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -328.956498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.956498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.956498 (E_RNA)
where:
Base-Base interactions energy: -209.505
where: short stacking energy: -114.490
Base-Backbone interact. energy: -0.536
local terms energy: -118.915487
where:
bonds (distance) C4'-P energy: -22.502
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -28.346
flat angles P-C4'-P energy: -21.382
tors. eta vs tors. theta energy: -26.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -261.310248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.310248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.310248 (E_RNA)
where:
Base-Base interactions energy: -158.540
where: short stacking energy: -88.161
Base-Backbone interact. energy: -0.246
local terms energy: -102.523498
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -25.313
flat angles C4'-P-C4' energy: -26.770
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -18.032
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: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -258.832325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.832325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.832325 (E_RNA)
where:
Base-Base interactions energy: -151.111
where: short stacking energy: -82.021
Base-Backbone interact. energy: -0.074
local terms energy: -107.647575
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -23.838
flat angles C4'-P-C4' energy: -26.944
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -18.692
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: 234
Temperature: 1.250000
Total energy: -141.376311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.376311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.376311 (E_RNA)
where:
Base-Base interactions energy: -47.193
where: short stacking energy: -42.026
Base-Backbone interact. energy: -0.452
local terms energy: -93.731717
where:
bonds (distance) C4'-P energy: -27.349
bonds (distance) P-C4' energy: -27.561
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: 1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -150.315341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.315341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.315341 (E_RNA)
where:
Base-Base interactions energy: -50.459
where: short stacking energy: -37.716
Base-Backbone interact. energy: -0.162
local terms energy: -99.694279
where:
bonds (distance) C4'-P energy: -22.956
bonds (distance) P-C4' energy: -28.386
flat angles C4'-P-C4' energy: -25.194
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -121.004467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.004467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.004467 (E_RNA)
where:
Base-Base interactions energy: -54.052
where: short stacking energy: -42.848
Base-Backbone interact. energy: -0.243
local terms energy: -66.710284
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -427.245507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.245507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.245507 (E_RNA)
where:
Base-Base interactions energy: -286.374
where: short stacking energy: -137.022
Base-Backbone interact. energy: -0.390
local terms energy: -140.481420
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -26.780
flat angles P-C4'-P energy: -23.865
tors. eta vs tors. theta energy: -41.143
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: 1
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -364.352550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.352550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.352550 (E_RNA)
where:
Base-Base interactions energy: -227.557
where: short stacking energy: -119.253
Base-Backbone interact. energy: -1.336
local terms energy: -135.459668
where:
bonds (distance) C4'-P energy: -26.950
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -29.474
flat angles P-C4'-P energy: -21.890
tors. eta vs tors. theta energy: -32.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -382.305984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.305984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.305984 (E_RNA)
where:
Base-Base interactions energy: -257.613
where: short stacking energy: -126.450
Base-Backbone interact. energy: -0.022
local terms energy: -124.671375
where:
bonds (distance) C4'-P energy: -25.176
bonds (distance) P-C4' energy: -21.000
flat angles C4'-P-C4' energy: -25.663
flat angles P-C4'-P energy: -17.056
tors. eta vs tors. theta energy: -35.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -317.551615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.551615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.551615 (E_RNA)
where:
Base-Base interactions energy: -200.544
where: short stacking energy: -94.793
Base-Backbone interact. energy: -0.856
local terms energy: -116.152071
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -28.510
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -18.676
tors. eta vs tors. theta energy: -24.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -319.143635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.143635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.143635 (E_RNA)
where:
Base-Base interactions energy: -209.373
where: short stacking energy: -114.317
Base-Backbone interact. energy: -0.149
local terms energy: -109.621522
where:
bonds (distance) C4'-P energy: -22.237
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -25.158
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -30.189
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: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -261.432399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.432399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.432399 (E_RNA)
where:
Base-Base interactions energy: -159.680
where: short stacking energy: -94.754
Base-Backbone interact. energy: -0.584
local terms energy: -101.168370
where:
bonds (distance) C4'-P energy: -21.802
bonds (distance) P-C4' energy: -22.652
flat angles C4'-P-C4' energy: -22.776
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -22.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -248.748698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.748698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.748698 (E_RNA)
where:
Base-Base interactions energy: -147.455
where: short stacking energy: -86.793
Base-Backbone interact. energy: -0.013
local terms energy: -101.281127
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -24.664
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -20.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -148.107079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.107079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.107079 (E_RNA)
where:
Base-Base interactions energy: -53.170
where: short stacking energy: -44.065
Base-Backbone interact. energy: -0.226
local terms energy: -94.710445
where:
bonds (distance) C4'-P energy: -26.083
bonds (distance) P-C4' energy: -23.766
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -15.833
tors. eta vs tors. theta energy: -8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -132.066024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.066024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.066024 (E_RNA)
where:
Base-Base interactions energy: -58.862
where: short stacking energy: -50.577
Base-Backbone interact. energy: 0.536
local terms energy: -73.740180
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -24.767
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -14.715
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: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -127.654824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.654824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.654824 (E_RNA)
where:
Base-Base interactions energy: -53.297
where: short stacking energy: -49.328
Base-Backbone interact. energy: 1.419
local terms energy: -75.776079
where:
bonds (distance) C4'-P energy: -22.368
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -11.921
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -437.466419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.466419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.466419 (E_RNA)
where:
Base-Base interactions energy: -292.090
where: short stacking energy: -142.798
Base-Backbone interact. energy: -0.006
local terms energy: -145.370410
where:
bonds (distance) C4'-P energy: -24.680
bonds (distance) P-C4' energy: -28.006
flat angles C4'-P-C4' energy: -28.671
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: -43.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -367.013434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.013434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.013434 (E_RNA)
where:
Base-Base interactions energy: -224.521
where: short stacking energy: -119.563
Base-Backbone interact. energy: -1.585
local terms energy: -140.907784
where:
bonds (distance) C4'-P energy: -27.279
bonds (distance) P-C4' energy: -31.108
flat angles C4'-P-C4' energy: -26.160
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -37.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -387.105514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.105514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.105514 (E_RNA)
where:
Base-Base interactions energy: -252.040
where: short stacking energy: -113.218
Base-Backbone interact. energy: -3.298
local terms energy: -131.767830
where:
bonds (distance) C4'-P energy: -27.812
bonds (distance) P-C4' energy: -25.315
flat angles C4'-P-C4' energy: -26.968
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -38.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -319.933556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.933556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.933556 (E_RNA)
where:
Base-Base interactions energy: -206.332
where: short stacking energy: -112.309
Base-Backbone interact. energy: -0.265
local terms energy: -113.336704
where:
bonds (distance) C4'-P energy: -21.901
bonds (distance) P-C4' energy: -27.649
flat angles C4'-P-C4' energy: -27.147
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -24.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -325.905200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.905200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.905200 (E_RNA)
where:
Base-Base interactions energy: -192.091
where: short stacking energy: -106.844
Base-Backbone interact. energy: -0.688
local terms energy: -133.126212
where:
bonds (distance) C4'-P energy: -23.251
bonds (distance) P-C4' energy: -23.782
flat angles C4'-P-C4' energy: -27.525
flat angles P-C4'-P energy: -22.666
tors. eta vs tors. theta energy: -35.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -283.517993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.517993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.517993 (E_RNA)
where:
Base-Base interactions energy: -175.160
where: short stacking energy: -99.667
Base-Backbone interact. energy: -0.439
local terms energy: -107.919055
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -22.734
flat angles C4'-P-C4' energy: -24.017
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -25.293
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: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -262.289346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.289346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.289346 (E_RNA)
where:
Base-Base interactions energy: -152.129
where: short stacking energy: -92.144
Base-Backbone interact. energy: -0.133
local terms energy: -110.028129
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -25.270
flat angles C4'-P-C4' energy: -25.427
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -22.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -148.952537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.952537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.952537 (E_RNA)
where:
Base-Base interactions energy: -67.912
where: short stacking energy: -64.409
Base-Backbone interact. energy: 0.109
local terms energy: -81.149216
where:
bonds (distance) C4'-P energy: -24.634
bonds (distance) P-C4' energy: -28.537
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: 0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -133.291768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.291768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.291768 (E_RNA)
where:
Base-Base interactions energy: -51.365
where: short stacking energy: -43.624
Base-Backbone interact. energy: -0.861
local terms energy: -81.065804
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -25.592
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: 0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -126.854510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.854510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.854510 (E_RNA)
where:
Base-Base interactions energy: -58.301
where: short stacking energy: -50.217
Base-Backbone interact. energy: 2.272
local terms energy: -70.826166
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -10.573
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -416.792189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.792189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.792189 (E_RNA)
where:
Base-Base interactions energy: -279.709
where: short stacking energy: -143.119
Base-Backbone interact. energy: -0.009
local terms energy: -137.074347
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -26.597
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -43.655
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: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -404.085461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.085461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.085461 (E_RNA)
where:
Base-Base interactions energy: -266.803
where: short stacking energy: -131.640
Base-Backbone interact. energy: -0.104
local terms energy: -137.178183
where:
bonds (distance) C4'-P energy: -24.410
bonds (distance) P-C4' energy: -26.676
flat angles C4'-P-C4' energy: -30.177
flat angles P-C4'-P energy: -16.317
tors. eta vs tors. theta energy: -39.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -345.756531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.756531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.756531 (E_RNA)
where:
Base-Base interactions energy: -217.659
where: short stacking energy: -119.266
Base-Backbone interact. energy: -0.068
local terms energy: -128.030038
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -25.169
flat angles C4'-P-C4' energy: -28.715
flat angles P-C4'-P energy: -19.796
tors. eta vs tors. theta energy: -31.407
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: 4, replica: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -342.749484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.749484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.749484 (E_RNA)
where:
Base-Base interactions energy: -216.556
where: short stacking energy: -113.889
Base-Backbone interact. energy: -0.442
local terms energy: -125.751352
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -25.486
flat angles C4'-P-C4' energy: -23.150
flat angles P-C4'-P energy: -18.512
tors. eta vs tors. theta energy: -35.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -297.221983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.221983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.221983 (E_RNA)
where:
Base-Base interactions energy: -181.232
where: short stacking energy: -93.016
Base-Backbone interact. energy: -0.710
local terms energy: -115.280304
where:
bonds (distance) C4'-P energy: -24.174
bonds (distance) P-C4' energy: -25.218
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -20.403
tors. eta vs tors. theta energy: -22.334
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: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -257.348941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.348941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.348941 (E_RNA)
where:
Base-Base interactions energy: -154.038
where: short stacking energy: -100.258
Base-Backbone interact. energy: -0.643
local terms energy: -102.667883
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -23.747
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -20.646
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: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -276.009345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.009345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.009345 (E_RNA)
where:
Base-Base interactions energy: -169.954
where: short stacking energy: -88.988
Base-Backbone interact. energy: 0.458
local terms energy: -106.513425
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -27.180
flat angles C4'-P-C4' energy: -26.461
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -23.700
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: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -169.768730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.768730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.768730 (E_RNA)
where:
Base-Base interactions energy: -76.833
where: short stacking energy: -65.864
Base-Backbone interact. energy: -0.149
local terms energy: -92.787387
where:
bonds (distance) C4'-P energy: -23.801
bonds (distance) P-C4' energy: -27.589
flat angles C4'-P-C4' energy: -21.974
flat angles P-C4'-P energy: -11.523
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: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -150.455196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.455196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.455196 (E_RNA)
where:
Base-Base interactions energy: -67.443
where: short stacking energy: -55.095
Base-Backbone interact. energy: -0.487
local terms energy: -82.525058
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -22.795
flat angles C4'-P-C4' energy: -23.817
flat angles P-C4'-P energy: -18.996
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -128.109569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.109569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.109569 (E_RNA)
where:
Base-Base interactions energy: -48.875
where: short stacking energy: -42.948
Base-Backbone interact. energy: -0.240
local terms energy: -78.995171
where:
bonds (distance) C4'-P energy: -24.657
bonds (distance) P-C4' energy: -26.571
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -11.020
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -437.676427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.676427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.676427 (E_RNA)
where:
Base-Base interactions energy: -289.939
where: short stacking energy: -143.185
Base-Backbone interact. energy: -0.745
local terms energy: -146.991506
where:
bonds (distance) C4'-P energy: -26.866
bonds (distance) P-C4' energy: -27.982
flat angles C4'-P-C4' energy: -29.563
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -44.166
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: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -402.129981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.129981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.129981 (E_RNA)
where:
Base-Base interactions energy: -273.908
where: short stacking energy: -144.152
Base-Backbone interact. energy: -0.732
local terms energy: -127.490163
where:
bonds (distance) C4'-P energy: -23.906
bonds (distance) P-C4' energy: -23.397
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -20.259
tors. eta vs tors. theta energy: -36.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -349.104597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.104597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.104597 (E_RNA)
where:
Base-Base interactions energy: -217.273
where: short stacking energy: -118.593
Base-Backbone interact. energy: -0.185
local terms energy: -131.646466
where:
bonds (distance) C4'-P energy: -23.913
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -33.505
flat angles P-C4'-P energy: -19.691
tors. eta vs tors. theta energy: -34.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -346.170147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.170147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.170147 (E_RNA)
where:
Base-Base interactions energy: -213.444
where: short stacking energy: -114.357
Base-Backbone interact. energy: -0.683
local terms energy: -132.043440
where:
bonds (distance) C4'-P energy: -26.645
bonds (distance) P-C4' energy: -24.454
flat angles C4'-P-C4' energy: -27.647
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: -36.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -313.088549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.088549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.088549 (E_RNA)
where:
Base-Base interactions energy: -200.212
where: short stacking energy: -89.940
Base-Backbone interact. energy: -0.388
local terms energy: -112.488453
where:
bonds (distance) C4'-P energy: -24.588
bonds (distance) P-C4' energy: -27.853
flat angles C4'-P-C4' energy: -20.709
flat angles P-C4'-P energy: -14.078
tors. eta vs tors. theta energy: -25.260
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: 5
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -245.290645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.290645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.290645 (E_RNA)
where:
Base-Base interactions energy: -145.295
where: short stacking energy: -79.385
Base-Backbone interact. energy: -0.129
local terms energy: -99.866430
where:
bonds (distance) C4'-P energy: -29.072
bonds (distance) P-C4' energy: -18.242
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -13.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -250.997454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.997454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.997454 (E_RNA)
where:
Base-Base interactions energy: -151.911
where: short stacking energy: -86.717
Base-Backbone interact. energy: -0.090
local terms energy: -98.996204
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -23.509
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -23.100
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: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -147.826370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.826370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.826370 (E_RNA)
where:
Base-Base interactions energy: -64.205
where: short stacking energy: -62.113
Base-Backbone interact. energy: 0.045
local terms energy: -83.666415
where:
bonds (distance) C4'-P energy: -29.325
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -20.129
flat angles P-C4'-P energy: -16.485
tors. eta vs tors. theta energy: 2.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -150.876882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.876882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.876882 (E_RNA)
where:
Base-Base interactions energy: -70.181
where: short stacking energy: -53.863
Base-Backbone interact. energy: -1.357
local terms energy: -79.338586
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -27.192
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -9.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -134.944345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.944345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.944345 (E_RNA)
where:
Base-Base interactions energy: -58.880
where: short stacking energy: -42.779
Base-Backbone interact. energy: -0.843
local terms energy: -75.221622
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -23.405
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: 3.848
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -423.359268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.359268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.359268 (E_RNA)
where:
Base-Base interactions energy: -283.673
where: short stacking energy: -145.564
Base-Backbone interact. energy: -0.425
local terms energy: -139.261379
where:
bonds (distance) C4'-P energy: -26.402
bonds (distance) P-C4' energy: -24.230
flat angles C4'-P-C4' energy: -27.710
flat angles P-C4'-P energy: -20.778
tors. eta vs tors. theta energy: -40.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -383.725013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.725013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.725013 (E_RNA)
where:
Base-Base interactions energy: -254.982
where: short stacking energy: -125.823
Base-Backbone interact. energy: -0.349
local terms energy: -128.394599
where:
bonds (distance) C4'-P energy: -26.720
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -26.169
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -33.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -336.741701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.741701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.741701 (E_RNA)
where:
Base-Base interactions energy: -218.360
where: short stacking energy: -120.267
Base-Backbone interact. energy: -0.102
local terms energy: -118.280083
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -25.119
flat angles C4'-P-C4' energy: -27.236
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -29.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -345.417936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.417936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.417936 (E_RNA)
where:
Base-Base interactions energy: -212.799
where: short stacking energy: -111.545
Base-Backbone interact. energy: -0.098
local terms energy: -132.520502
where:
bonds (distance) C4'-P energy: -27.234
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -28.412
flat angles P-C4'-P energy: -19.734
tors. eta vs tors. theta energy: -31.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -287.914312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.914312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.914312 (E_RNA)
where:
Base-Base interactions energy: -182.258
where: short stacking energy: -96.726
Base-Backbone interact. energy: -0.191
local terms energy: -105.465698
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -24.401
flat angles C4'-P-C4' energy: -28.696
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -22.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -271.440154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.440154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.440154 (E_RNA)
where:
Base-Base interactions energy: -148.581
where: short stacking energy: -81.759
Base-Backbone interact. energy: -1.007
local terms energy: -121.852023
where:
bonds (distance) C4'-P energy: -27.018
bonds (distance) P-C4' energy: -30.811
flat angles C4'-P-C4' energy: -22.869
flat angles P-C4'-P energy: -19.333
tors. eta vs tors. theta energy: -21.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -245.251566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.251566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.251566 (E_RNA)
where:
Base-Base interactions energy: -137.652
where: short stacking energy: -83.868
Base-Backbone interact. energy: -0.613
local terms energy: -106.986912
where:
bonds (distance) C4'-P energy: -23.892
bonds (distance) P-C4' energy: -21.360
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -144.469209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.469209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.469209 (E_RNA)
where:
Base-Base interactions energy: -54.744
where: short stacking energy: -48.003
Base-Backbone interact. energy: -0.365
local terms energy: -89.360132
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -23.211
flat angles C4'-P-C4' energy: -24.197
flat angles P-C4'-P energy: -21.574
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -130.800363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.800363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.800363 (E_RNA)
where:
Base-Base interactions energy: -58.916
where: short stacking energy: -45.987
Base-Backbone interact. energy: -0.767
local terms energy: -71.117356
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -129.460055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.460055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.460055 (E_RNA)
where:
Base-Base interactions energy: -44.483
where: short stacking energy: -43.463
Base-Backbone interact. energy: -0.954
local terms energy: -84.023054
where:
bonds (distance) C4'-P energy: -29.849
bonds (distance) P-C4' energy: -27.920
flat angles C4'-P-C4' energy: -22.481
flat angles P-C4'-P energy: -3.049
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -430.437747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.437747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.437747 (E_RNA)
where:
Base-Base interactions energy: -286.722
where: short stacking energy: -143.767
Base-Backbone interact. energy: -0.157
local terms energy: -143.558325
where:
bonds (distance) C4'-P energy: -25.734
bonds (distance) P-C4' energy: -27.150
flat angles C4'-P-C4' energy: -31.156
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -43.335
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: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -409.501089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.501089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.501089 (E_RNA)
where:
Base-Base interactions energy: -266.103
where: short stacking energy: -131.461
Base-Backbone interact. energy: -1.161
local terms energy: -142.237446
where:
bonds (distance) C4'-P energy: -26.190
bonds (distance) P-C4' energy: -26.954
flat angles C4'-P-C4' energy: -32.405
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -37.950
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: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -335.047288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.047288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.047288 (E_RNA)
where:
Base-Base interactions energy: -211.304
where: short stacking energy: -107.248
Base-Backbone interact. energy: -0.008
local terms energy: -123.735228
where:
bonds (distance) C4'-P energy: -23.869
bonds (distance) P-C4' energy: -27.176
flat angles C4'-P-C4' energy: -25.285
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -30.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -325.106094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.106094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.106094 (E_RNA)
where:
Base-Base interactions energy: -199.582
where: short stacking energy: -113.814
Base-Backbone interact. energy: -0.125
local terms energy: -125.399530
where:
bonds (distance) C4'-P energy: -23.454
bonds (distance) P-C4' energy: -28.905
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -20.565
tors. eta vs tors. theta energy: -28.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -268.107381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.107381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.107381 (E_RNA)
where:
Base-Base interactions energy: -165.463
where: short stacking energy: -91.225
Base-Backbone interact. energy: -0.735
local terms energy: -101.910162
where:
bonds (distance) C4'-P energy: -21.785
bonds (distance) P-C4' energy: -28.195
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -15.521
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: 240
Temperature: 1.150000
Total energy: -285.148549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.148549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.148549 (E_RNA)
where:
Base-Base interactions energy: -168.134
where: short stacking energy: -98.539
Base-Backbone interact. energy: -0.178
local terms energy: -116.837188
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -27.912
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -21.852
tors. eta vs tors. theta energy: -22.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -249.643288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.643288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.643288 (E_RNA)
where:
Base-Base interactions energy: -148.732
where: short stacking energy: -92.826
Base-Backbone interact. energy: 0.469
local terms energy: -101.380177
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -28.631
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: -19.443
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: 7
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -136.820298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.820298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.820298 (E_RNA)
where:
Base-Base interactions energy: -48.755
where: short stacking energy: -41.185
Base-Backbone interact. energy: -1.001
local terms energy: -87.064265
where:
bonds (distance) C4'-P energy: -26.343
bonds (distance) P-C4' energy: -19.060
flat angles C4'-P-C4' energy: -25.286
flat angles P-C4'-P energy: -15.295
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: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -134.266574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.266574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.266574 (E_RNA)
where:
Base-Base interactions energy: -43.443
where: short stacking energy: -43.523
Base-Backbone interact. energy: -0.297
local terms energy: -90.526713
where:
bonds (distance) C4'-P energy: -23.681
bonds (distance) P-C4' energy: -27.646
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -9.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -134.210668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.210668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.210668 (E_RNA)
where:
Base-Base interactions energy: -49.254
where: short stacking energy: -42.696
Base-Backbone interact. energy: -0.384
local terms energy: -84.573285
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -24.455
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: 1.479
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -431.942198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.942198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.942198 (E_RNA)
where:
Base-Base interactions energy: -289.158
where: short stacking energy: -142.155
Base-Backbone interact. energy: -1.476
local terms energy: -141.307780
where:
bonds (distance) C4'-P energy: -28.753
bonds (distance) P-C4' energy: -19.984
flat angles C4'-P-C4' energy: -27.755
flat angles P-C4'-P energy: -22.494
tors. eta vs tors. theta energy: -42.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -408.759826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.759826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.759826 (E_RNA)
where:
Base-Base interactions energy: -278.015
where: short stacking energy: -134.002
Base-Backbone interact. energy: -0.017
local terms energy: -130.727858
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -23.457
flat angles C4'-P-C4' energy: -28.922
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: -38.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -348.569357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.569357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.569357 (E_RNA)
where:
Base-Base interactions energy: -219.705
where: short stacking energy: -124.724
Base-Backbone interact. energy: -0.094
local terms energy: -128.769724
where:
bonds (distance) C4'-P energy: -28.728
bonds (distance) P-C4' energy: -25.971
flat angles C4'-P-C4' energy: -23.890
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -35.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -327.594558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.594558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.594558 (E_RNA)
where:
Base-Base interactions energy: -196.150
where: short stacking energy: -99.424
Base-Backbone interact. energy: -0.845
local terms energy: -130.600389
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -28.324
flat angles C4'-P-C4' energy: -29.221
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -32.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -301.605419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.605419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.605419 (E_RNA)
where:
Base-Base interactions energy: -181.943
where: short stacking energy: -98.589
Base-Backbone interact. energy: -0.225
local terms energy: -119.437645
where:
bonds (distance) C4'-P energy: -24.352
bonds (distance) P-C4' energy: -28.780
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -19.110
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -278.078179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.078179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.078179 (E_RNA)
where:
Base-Base interactions energy: -171.016
where: short stacking energy: -91.484
Base-Backbone interact. energy: 0.580
local terms energy: -107.642075
where:
bonds (distance) C4'-P energy: -26.998
bonds (distance) P-C4' energy: -24.074
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -19.569
tors. eta vs tors. theta energy: -14.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -273.984615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.984615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.984615 (E_RNA)
where:
Base-Base interactions energy: -162.052
where: short stacking energy: -83.125
Base-Backbone interact. energy: -0.382
local terms energy: -111.550953
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -24.511
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -17.809
tors. eta vs tors. theta energy: -25.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -152.499996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.499996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.499996 (E_RNA)
where:
Base-Base interactions energy: -59.788
where: short stacking energy: -57.036
Base-Backbone interact. energy: 1.161
local terms energy: -93.872742
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -25.077
flat angles C4'-P-C4' energy: -23.518
flat angles P-C4'-P energy: -19.755
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: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -117.104410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.104410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.104410 (E_RNA)
where:
Base-Base interactions energy: -37.239
where: short stacking energy: -29.180
Base-Backbone interact. energy: -0.393
local terms energy: -79.472978
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -17.223
tors. eta vs tors. theta energy: 1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -120.384383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.384383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.384383 (E_RNA)
where:
Base-Base interactions energy: -45.049
where: short stacking energy: -45.020
Base-Backbone interact. energy: -0.622
local terms energy: -74.713356
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -20.345
tors. eta vs tors. theta energy: 1.681
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -420.877821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.877821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.877821 (E_RNA)
where:
Base-Base interactions energy: -283.858
where: short stacking energy: -135.676
Base-Backbone interact. energy: -0.204
local terms energy: -136.815042
where:
bonds (distance) C4'-P energy: -28.826
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -27.763
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -34.774
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: 242
Temperature: 0.950000
Total energy: -417.598306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.598306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.598306 (E_RNA)
where:
Base-Base interactions energy: -273.890
where: short stacking energy: -131.970
Base-Backbone interact. energy: -0.010
local terms energy: -143.698463
where:
bonds (distance) C4'-P energy: -25.838
bonds (distance) P-C4' energy: -26.692
flat angles C4'-P-C4' energy: -29.739
flat angles P-C4'-P energy: -21.138
tors. eta vs tors. theta energy: -40.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -343.896340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.896340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.896340 (E_RNA)
where:
Base-Base interactions energy: -207.202
where: short stacking energy: -112.649
Base-Backbone interact. energy: -0.212
local terms energy: -136.482777
where:
bonds (distance) C4'-P energy: -26.313
bonds (distance) P-C4' energy: -25.823
flat angles C4'-P-C4' energy: -28.856
flat angles P-C4'-P energy: -24.120
tors. eta vs tors. theta energy: -31.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -343.496050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.496050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.496050 (E_RNA)
where:
Base-Base interactions energy: -213.766
where: short stacking energy: -109.801
Base-Backbone interact. energy: -1.287
local terms energy: -128.443079
where:
bonds (distance) C4'-P energy: -25.449
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -27.211
flat angles P-C4'-P energy: -16.001
tors. eta vs tors. theta energy: -35.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -282.298239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.298239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.298239 (E_RNA)
where:
Base-Base interactions energy: -173.517
where: short stacking energy: -93.691
Base-Backbone interact. energy: -1.014
local terms energy: -107.766708
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -26.620
flat angles C4'-P-C4' energy: -27.051
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -18.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -253.820645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.820645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.820645 (E_RNA)
where:
Base-Base interactions energy: -149.746
where: short stacking energy: -85.564
Base-Backbone interact. energy: 0.011
local terms energy: -104.085029
where:
bonds (distance) C4'-P energy: -22.903
bonds (distance) P-C4' energy: -25.429
flat angles C4'-P-C4' energy: -24.671
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -142.630224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.630224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.630224 (E_RNA)
where:
Base-Base interactions energy: -61.570
where: short stacking energy: -54.298
Base-Backbone interact. energy: -0.272
local terms energy: -80.788256
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -15.909
tors. eta vs tors. theta energy: -7.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -246.186301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.186301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.186301 (E_RNA)
where:
Base-Base interactions energy: -142.191
where: short stacking energy: -71.009
Base-Backbone interact. energy: -0.868
local terms energy: -103.127251
where:
bonds (distance) C4'-P energy: -20.228
bonds (distance) P-C4' energy: -26.400
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -12.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -139.226589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.226589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.226589 (E_RNA)
where:
Base-Base interactions energy: -61.472
where: short stacking energy: -61.317
Base-Backbone interact. energy: -0.267
local terms energy: -77.487835
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -26.370
flat angles C4'-P-C4' energy: -24.446
flat angles P-C4'-P energy: -2.916
tors. eta vs tors. theta energy: -4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -125.008276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.008276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.008276 (E_RNA)
where:
Base-Base interactions energy: -48.130
where: short stacking energy: -25.833
Base-Backbone interact. energy: 1.085
local terms energy: -77.963855
where:
bonds (distance) C4'-P energy: -21.313
bonds (distance) P-C4' energy: -24.503
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -19.888
tors. eta vs tors. theta energy: 4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -428.489944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.489944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.489944 (E_RNA)
where:
Base-Base interactions energy: -285.151
where: short stacking energy: -140.502
Base-Backbone interact. energy: -0.902
local terms energy: -142.437189
where:
bonds (distance) C4'-P energy: -27.465
bonds (distance) P-C4' energy: -28.284
flat angles C4'-P-C4' energy: -30.149
flat angles P-C4'-P energy: -17.798
tors. eta vs tors. theta energy: -38.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -426.315632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.315632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.315632 (E_RNA)
where:
Base-Base interactions energy: -287.361
where: short stacking energy: -147.718
Base-Backbone interact. energy: -0.132
local terms energy: -138.822647
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -27.227
flat angles C4'-P-C4' energy: -27.801
flat angles P-C4'-P energy: -20.702
tors. eta vs tors. theta energy: -41.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -333.814192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.814192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.814192 (E_RNA)
where:
Base-Base interactions energy: -208.220
where: short stacking energy: -109.941
Base-Backbone interact. energy: -0.963
local terms energy: -124.630627
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -27.559
flat angles C4'-P-C4' energy: -27.134
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -30.595
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: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -347.917445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.917445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.917445 (E_RNA)
where:
Base-Base interactions energy: -222.043
where: short stacking energy: -123.279
Base-Backbone interact. energy: -0.085
local terms energy: -125.789929
where:
bonds (distance) C4'-P energy: -24.622
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -24.280
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -39.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -286.864452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.864452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.864452 (E_RNA)
where:
Base-Base interactions energy: -186.055
where: short stacking energy: -86.348
Base-Backbone interact. energy: -0.432
local terms energy: -100.377452
where:
bonds (distance) C4'-P energy: -20.417
bonds (distance) P-C4' energy: -25.692
flat angles C4'-P-C4' energy: -24.931
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -21.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -244.923934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.923934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.923934 (E_RNA)
where:
Base-Base interactions energy: -146.381
where: short stacking energy: -95.692
Base-Backbone interact. energy: -0.149
local terms energy: -98.393698
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -164.705647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.705647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.705647 (E_RNA)
where:
Base-Base interactions energy: -65.783
where: short stacking energy: -62.848
Base-Backbone interact. energy: -0.189
local terms energy: -98.733980
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -20.103
flat angles C4'-P-C4' energy: -26.689
flat angles P-C4'-P energy: -20.940
tors. eta vs tors. theta energy: -9.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -244.234485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.234485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.234485 (E_RNA)
where:
Base-Base interactions energy: -138.839
where: short stacking energy: -78.945
Base-Backbone interact. energy: -0.184
local terms energy: -105.211295
where:
bonds (distance) C4'-P energy: -22.088
bonds (distance) P-C4' energy: -24.093
flat angles C4'-P-C4' energy: -22.146
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -21.940
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: 243
Temperature: 1.300000
Total energy: -154.816637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.816637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.816637 (E_RNA)
where:
Base-Base interactions energy: -77.278
where: short stacking energy: -46.249
Base-Backbone interact. energy: -1.736
local terms energy: -75.802728
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -22.357
flat angles C4'-P-C4' energy: -23.271
flat angles P-C4'-P energy: -13.787
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: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -114.338225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.338225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.338225 (E_RNA)
where:
Base-Base interactions energy: -45.690
where: short stacking energy: -40.688
Base-Backbone interact. energy: -0.237
local terms energy: -68.411147
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -23.569
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -13.416
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -418.131386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.131386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.131386 (E_RNA)
where:
Base-Base interactions energy: -279.848
where: short stacking energy: -134.879
Base-Backbone interact. energy: -0.258
local terms energy: -138.024626
where:
bonds (distance) C4'-P energy: -22.808
bonds (distance) P-C4' energy: -27.112
flat angles C4'-P-C4' energy: -26.982
flat angles P-C4'-P energy: -21.296
tors. eta vs tors. theta energy: -39.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -417.648445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.648445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.648445 (E_RNA)
where:
Base-Base interactions energy: -277.208
where: short stacking energy: -129.037
Base-Backbone interact. energy: -0.450
local terms energy: -139.991159
where:
bonds (distance) C4'-P energy: -23.595
bonds (distance) P-C4' energy: -29.670
flat angles C4'-P-C4' energy: -27.418
flat angles P-C4'-P energy: -22.557
tors. eta vs tors. theta energy: -36.752
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: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -349.820199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.820199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.820199 (E_RNA)
where:
Base-Base interactions energy: -218.033
where: short stacking energy: -120.400
Base-Backbone interact. energy: -0.683
local terms energy: -131.103926
where:
bonds (distance) C4'-P energy: -25.529
bonds (distance) P-C4' energy: -23.680
flat angles C4'-P-C4' energy: -29.019
flat angles P-C4'-P energy: -19.767
tors. eta vs tors. theta energy: -33.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -342.896235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.896235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.896235 (E_RNA)
where:
Base-Base interactions energy: -218.696
where: short stacking energy: -111.965
Base-Backbone interact. energy: 0.340
local terms energy: -124.539994
where:
bonds (distance) C4'-P energy: -28.123
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -29.748
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: 5, replica: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -280.562930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.562930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.562930 (E_RNA)
where:
Base-Base interactions energy: -171.906
where: short stacking energy: -97.517
Base-Backbone interact. energy: -0.607
local terms energy: -108.049670
where:
bonds (distance) C4'-P energy: -22.468
bonds (distance) P-C4' energy: -24.667
flat angles C4'-P-C4' energy: -24.895
flat angles P-C4'-P energy: -17.921
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -248.504971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.504971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.504971 (E_RNA)
where:
Base-Base interactions energy: -159.172
where: short stacking energy: -94.385
Base-Backbone interact. energy: -0.870
local terms energy: -88.463276
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -27.435
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -264.686675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.686675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.686675 (E_RNA)
where:
Base-Base interactions energy: -141.348
where: short stacking energy: -87.303
Base-Backbone interact. energy: -0.752
local terms energy: -122.586757
where:
bonds (distance) C4'-P energy: -24.032
bonds (distance) P-C4' energy: -26.620
flat angles C4'-P-C4' energy: -27.955
flat angles P-C4'-P energy: -17.941
tors. eta vs tors. theta energy: -26.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -160.033649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.033649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.033649 (E_RNA)
where:
Base-Base interactions energy: -59.692
where: short stacking energy: -42.968
Base-Backbone interact. energy: -0.861
local terms energy: -99.480679
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -25.000
flat angles C4'-P-C4' energy: -24.817
flat angles P-C4'-P energy: -21.768
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -129.882984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.882984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.882984 (E_RNA)
where:
Base-Base interactions energy: -43.733
where: short stacking energy: -42.501
Base-Backbone interact. energy: 0.327
local terms energy: -86.476505
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -16.953
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -130.561882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.561882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.561882 (E_RNA)
where:
Base-Base interactions energy: -49.271
where: short stacking energy: -49.251
Base-Backbone interact. energy: -0.327
local terms energy: -80.963751
where:
bonds (distance) C4'-P energy: -17.542
bonds (distance) P-C4' energy: -25.695
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -429.708421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.708421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.708421 (E_RNA)
where:
Base-Base interactions energy: -295.164
where: short stacking energy: -140.835
Base-Backbone interact. energy: -0.008
local terms energy: -134.536195
where:
bonds (distance) C4'-P energy: -21.227
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -26.028
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -44.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -412.836451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.836451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.836451 (E_RNA)
where:
Base-Base interactions energy: -279.175
where: short stacking energy: -135.304
Base-Backbone interact. energy: -0.412
local terms energy: -133.248697
where:
bonds (distance) C4'-P energy: -26.241
bonds (distance) P-C4' energy: -27.433
flat angles C4'-P-C4' energy: -25.720
flat angles P-C4'-P energy: -17.128
tors. eta vs tors. theta energy: -36.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -332.755099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.755099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.755099 (E_RNA)
where:
Base-Base interactions energy: -203.852
where: short stacking energy: -112.702
Base-Backbone interact. energy: -0.193
local terms energy: -128.709994
where:
bonds (distance) C4'-P energy: -26.530
bonds (distance) P-C4' energy: -27.185
flat angles C4'-P-C4' energy: -25.942
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -31.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -343.115600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.115600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.115600 (E_RNA)
where:
Base-Base interactions energy: -210.274
where: short stacking energy: -122.155
Base-Backbone interact. energy: -0.406
local terms energy: -132.436272
where:
bonds (distance) C4'-P energy: -20.964
bonds (distance) P-C4' energy: -24.463
flat angles C4'-P-C4' energy: -30.401
flat angles P-C4'-P energy: -20.527
tors. eta vs tors. theta energy: -36.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -305.250923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.250923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.250923 (E_RNA)
where:
Base-Base interactions energy: -188.741
where: short stacking energy: -111.218
Base-Backbone interact. energy: -0.899
local terms energy: -115.611005
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -24.252
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: -31.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -252.987371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.987371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.987371 (E_RNA)
where:
Base-Base interactions energy: -154.278
where: short stacking energy: -74.699
Base-Backbone interact. energy: -1.001
local terms energy: -97.708325
where:
bonds (distance) C4'-P energy: -24.219
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -25.338
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -14.064
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: 8
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -253.913173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.913173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.913173 (E_RNA)
where:
Base-Base interactions energy: -150.374
where: short stacking energy: -92.242
Base-Backbone interact. energy: -0.953
local terms energy: -102.586597
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -27.169
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -5.186
tors. eta vs tors. theta energy: -22.233
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: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -181.407401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.407401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.407401 (E_RNA)
where:
Base-Base interactions energy: -89.975
where: short stacking energy: -61.966
Base-Backbone interact. energy: -0.405
local terms energy: -91.027713
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -24.370
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -18.653
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: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -145.179069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.179069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.179069 (E_RNA)
where:
Base-Base interactions energy: -59.328
where: short stacking energy: -55.616
Base-Backbone interact. energy: -0.457
local terms energy: -85.393421
where:
bonds (distance) C4'-P energy: -24.625
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -18.699
tors. eta vs tors. theta energy: -1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -121.234051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.234051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.234051 (E_RNA)
where:
Base-Base interactions energy: -52.398
where: short stacking energy: -35.549
Base-Backbone interact. energy: 2.357
local terms energy: -71.193774
where:
bonds (distance) C4'-P energy: -23.046
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: 1.359
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -427.824635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.824635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.824635 (E_RNA)
where:
Base-Base interactions energy: -277.945
where: short stacking energy: -145.936
Base-Backbone interact. energy: -1.540
local terms energy: -148.338989
where:
bonds (distance) C4'-P energy: -26.911
bonds (distance) P-C4' energy: -28.622
flat angles C4'-P-C4' energy: -29.644
flat angles P-C4'-P energy: -21.885
tors. eta vs tors. theta energy: -41.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -399.689003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.689003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.689003 (E_RNA)
where:
Base-Base interactions energy: -265.352
where: short stacking energy: -137.442
Base-Backbone interact. energy: -0.165
local terms energy: -134.172593
where:
bonds (distance) C4'-P energy: -26.050
bonds (distance) P-C4' energy: -26.431
flat angles C4'-P-C4' energy: -28.928
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -38.010
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: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -366.136698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.136698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.136698 (E_RNA)
where:
Base-Base interactions energy: -230.921
where: short stacking energy: -121.709
Base-Backbone interact. energy: -0.134
local terms energy: -135.081455
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -26.369
flat angles C4'-P-C4' energy: -30.824
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -33.827
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: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -324.452350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.452350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.452350 (E_RNA)
where:
Base-Base interactions energy: -199.320
where: short stacking energy: -105.922
Base-Backbone interact. energy: 0.775
local terms energy: -125.907956
where:
bonds (distance) C4'-P energy: -28.719
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -25.674
flat angles P-C4'-P energy: -21.375
tors. eta vs tors. theta energy: -26.836
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: 246
Temperature: 1.100000
Total energy: -299.113989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.113989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.113989 (E_RNA)
where:
Base-Base interactions energy: -176.797
where: short stacking energy: -99.881
Base-Backbone interact. energy: -0.194
local terms energy: -122.122885
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -28.669
flat angles C4'-P-C4' energy: -31.891
flat angles P-C4'-P energy: -18.792
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -247.965600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.965600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.965600 (E_RNA)
where:
Base-Base interactions energy: -139.484
where: short stacking energy: -93.447
Base-Backbone interact. energy: -0.389
local terms energy: -108.092997
where:
bonds (distance) C4'-P energy: -26.576
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -23.325
flat angles P-C4'-P energy: -16.080
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -245.671267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.671267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.671267 (E_RNA)
where:
Base-Base interactions energy: -146.205
where: short stacking energy: -84.645
Base-Backbone interact. energy: -0.907
local terms energy: -98.559189
where:
bonds (distance) C4'-P energy: -23.652
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -23.648
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -18.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -182.322010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.322010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.322010 (E_RNA)
where:
Base-Base interactions energy: -97.066
where: short stacking energy: -73.441
Base-Backbone interact. energy: -0.647
local terms energy: -84.609244
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -11.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -136.788456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.788456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.788456 (E_RNA)
where:
Base-Base interactions energy: -55.663
where: short stacking energy: -49.220
Base-Backbone interact. energy: 0.210
local terms energy: -81.335293
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -22.174
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -131.609661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.609661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.609661 (E_RNA)
where:
Base-Base interactions energy: -59.235
where: short stacking energy: -50.765
Base-Backbone interact. energy: -0.458
local terms energy: -71.916807
where:
bonds (distance) C4'-P energy: -27.984
bonds (distance) P-C4' energy: -23.815
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: 0.836
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -420.846659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.846659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.846659 (E_RNA)
where:
Base-Base interactions energy: -279.050
where: short stacking energy: -145.815
Base-Backbone interact. energy: -0.414
local terms energy: -141.383138
where:
bonds (distance) C4'-P energy: -23.718
bonds (distance) P-C4' energy: -25.485
flat angles C4'-P-C4' energy: -29.626
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: -42.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -398.849007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.849007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.849007 (E_RNA)
where:
Base-Base interactions energy: -258.965
where: short stacking energy: -126.689
Base-Backbone interact. energy: -0.335
local terms energy: -139.548355
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -31.563
flat angles C4'-P-C4' energy: -29.737
flat angles P-C4'-P energy: -20.372
tors. eta vs tors. theta energy: -37.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -380.492832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.492832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.492832 (E_RNA)
where:
Base-Base interactions energy: -236.873
where: short stacking energy: -127.905
Base-Backbone interact. energy: -1.927
local terms energy: -141.693231
where:
bonds (distance) C4'-P energy: -26.282
bonds (distance) P-C4' energy: -25.005
flat angles C4'-P-C4' energy: -27.142
flat angles P-C4'-P energy: -22.104
tors. eta vs tors. theta energy: -41.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -333.598748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.598748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.598748 (E_RNA)
where:
Base-Base interactions energy: -203.000
where: short stacking energy: -115.643
Base-Backbone interact. energy: -0.536
local terms energy: -130.062222
where:
bonds (distance) C4'-P energy: -27.465
bonds (distance) P-C4' energy: -27.630
flat angles C4'-P-C4' energy: -24.841
flat angles P-C4'-P energy: -19.264
tors. eta vs tors. theta energy: -30.862
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: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -276.194653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.194653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.194653 (E_RNA)
where:
Base-Base interactions energy: -166.268
where: short stacking energy: -93.660
Base-Backbone interact. energy: -0.500
local terms energy: -109.426431
where:
bonds (distance) C4'-P energy: -27.039
bonds (distance) P-C4' energy: -26.489
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -19.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -255.292786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.292786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.292786 (E_RNA)
where:
Base-Base interactions energy: -148.619
where: short stacking energy: -85.119
Base-Backbone interact. energy: -0.357
local terms energy: -106.316846
where:
bonds (distance) C4'-P energy: -26.027
bonds (distance) P-C4' energy: -22.519
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -238.306478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.306478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.306478 (E_RNA)
where:
Base-Base interactions energy: -138.191
where: short stacking energy: -78.823
Base-Backbone interact. energy: -1.744
local terms energy: -98.371175
where:
bonds (distance) C4'-P energy: -25.106
bonds (distance) P-C4' energy: -26.875
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -11.342
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: 8, replica: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -164.830462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.830462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.830462 (E_RNA)
where:
Base-Base interactions energy: -73.467
where: short stacking energy: -73.452
Base-Backbone interact. energy: 0.142
local terms energy: -91.505111
where:
bonds (distance) C4'-P energy: -20.084
bonds (distance) P-C4' energy: -24.331
flat angles C4'-P-C4' energy: -27.156
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -11.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -132.992694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.992694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.992694 (E_RNA)
where:
Base-Base interactions energy: -65.442
where: short stacking energy: -48.992
Base-Backbone interact. energy: -0.675
local terms energy: -66.876025
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -26.945
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -8.706
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: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -138.301204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.301204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.301204 (E_RNA)
where:
Base-Base interactions energy: -53.390
where: short stacking energy: -53.357
Base-Backbone interact. energy: -0.726
local terms energy: -84.185777
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -25.618
flat angles C4'-P-C4' energy: -23.734
flat angles P-C4'-P energy: -10.504
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -433.409842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.409842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.409842 (E_RNA)
where:
Base-Base interactions energy: -287.737
where: short stacking energy: -143.732
Base-Backbone interact. energy: -0.018
local terms energy: -145.654935
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -31.571
flat angles C4'-P-C4' energy: -30.700
flat angles P-C4'-P energy: -18.703
tors. eta vs tors. theta energy: -42.111
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: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -403.792220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.792220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.792220 (E_RNA)
where:
Base-Base interactions energy: -267.160
where: short stacking energy: -130.142
Base-Backbone interact. energy: -1.805
local terms energy: -134.826778
where:
bonds (distance) C4'-P energy: -27.051
bonds (distance) P-C4' energy: -29.954
flat angles C4'-P-C4' energy: -26.496
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -38.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -353.381969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.381969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.381969 (E_RNA)
where:
Base-Base interactions energy: -222.447
where: short stacking energy: -121.687
Base-Backbone interact. energy: -0.399
local terms energy: -130.536093
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -24.794
flat angles C4'-P-C4' energy: -26.130
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -43.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -329.512195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.512195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.512195 (E_RNA)
where:
Base-Base interactions energy: -204.850
where: short stacking energy: -104.545
Base-Backbone interact. energy: -0.606
local terms energy: -124.055889
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -24.859
flat angles C4'-P-C4' energy: -25.812
flat angles P-C4'-P energy: -22.947
tors. eta vs tors. theta energy: -25.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -282.030756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.030756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.030756 (E_RNA)
where:
Base-Base interactions energy: -177.636
where: short stacking energy: -92.104
Base-Backbone interact. energy: -0.372
local terms energy: -104.022740
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -23.425
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -26.585
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: 248
Temperature: 1.150000
Total energy: -250.797857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.797857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.797857 (E_RNA)
where:
Base-Base interactions energy: -147.499
where: short stacking energy: -80.570
Base-Backbone interact. energy: -0.308
local terms energy: -102.990751
where:
bonds (distance) C4'-P energy: -25.523
bonds (distance) P-C4' energy: -26.440
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -253.831322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.831322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.831322 (E_RNA)
where:
Base-Base interactions energy: -137.365
where: short stacking energy: -90.455
Base-Backbone interact. energy: -0.764
local terms energy: -115.702641
where:
bonds (distance) C4'-P energy: -27.096
bonds (distance) P-C4' energy: -24.649
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -164.891102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.891102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.891102 (E_RNA)
where:
Base-Base interactions energy: -84.838
where: short stacking energy: -64.460
Base-Backbone interact. energy: -1.883
local terms energy: -78.170024
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -122.215269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.215269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.215269 (E_RNA)
where:
Base-Base interactions energy: -49.746
where: short stacking energy: -28.483
Base-Backbone interact. energy: -1.104
local terms energy: -71.365784
where:
bonds (distance) C4'-P energy: -23.369
bonds (distance) P-C4' energy: -24.646
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: 3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -126.196315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.196315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.196315 (E_RNA)
where:
Base-Base interactions energy: -55.926
where: short stacking energy: -42.126
Base-Backbone interact. energy: -1.662
local terms energy: -68.608955
where:
bonds (distance) C4'-P energy: -24.885
bonds (distance) P-C4' energy: -22.744
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -2.092
tors. eta vs tors. theta energy: 0.539
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -424.837868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.837868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.837868 (E_RNA)
where:
Base-Base interactions energy: -282.808
where: short stacking energy: -140.594
Base-Backbone interact. energy: -0.502
local terms energy: -141.527736
where:
bonds (distance) C4'-P energy: -24.393
bonds (distance) P-C4' energy: -27.204
flat angles C4'-P-C4' energy: -30.057
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -43.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -397.939573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.939573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.939573 (E_RNA)
where:
Base-Base interactions energy: -269.316
where: short stacking energy: -126.301
Base-Backbone interact. energy: -0.174
local terms energy: -128.449384
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -24.760
flat angles C4'-P-C4' energy: -27.212
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -35.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -338.412321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.412321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.412321 (E_RNA)
where:
Base-Base interactions energy: -209.325
where: short stacking energy: -109.314
Base-Backbone interact. energy: -1.517
local terms energy: -127.570014
where:
bonds (distance) C4'-P energy: -27.332
bonds (distance) P-C4' energy: -24.243
flat angles C4'-P-C4' energy: -27.226
flat angles P-C4'-P energy: -18.473
tors. eta vs tors. theta energy: -30.297
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: 9
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -343.959366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.959366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.959366 (E_RNA)
where:
Base-Base interactions energy: -218.985
where: short stacking energy: -124.239
Base-Backbone interact. energy: -0.910
local terms energy: -124.064361
where:
bonds (distance) C4'-P energy: -22.065
bonds (distance) P-C4' energy: -23.403
flat angles C4'-P-C4' energy: -29.188
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -32.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -297.589379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.589379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.589379 (E_RNA)
where:
Base-Base interactions energy: -181.543
where: short stacking energy: -107.702
Base-Backbone interact. energy: -0.418
local terms energy: -115.627739
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -25.857
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -27.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -255.832087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.832087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.832087 (E_RNA)
where:
Base-Base interactions energy: -140.990
where: short stacking energy: -89.792
Base-Backbone interact. energy: -0.638
local terms energy: -114.204046
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -21.864
flat angles C4'-P-C4' energy: -26.632
flat angles P-C4'-P energy: -20.210
tors. eta vs tors. theta energy: -23.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -267.081320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.081320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.081320 (E_RNA)
where:
Base-Base interactions energy: -167.864
where: short stacking energy: -83.991
Base-Backbone interact. energy: -1.316
local terms energy: -97.900638
where:
bonds (distance) C4'-P energy: -21.834
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -16.055
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: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -154.026691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.026691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.026691 (E_RNA)
where:
Base-Base interactions energy: -63.612
where: short stacking energy: -63.612
Base-Backbone interact. energy: -0.187
local terms energy: -90.227096
where:
bonds (distance) C4'-P energy: -24.223
bonds (distance) P-C4' energy: -27.415
flat angles C4'-P-C4' energy: -23.449
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -7.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -149.242133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.242133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.242133 (E_RNA)
where:
Base-Base interactions energy: -65.432
where: short stacking energy: -41.271
Base-Backbone interact. energy: -0.233
local terms energy: -83.576871
where:
bonds (distance) C4'-P energy: -27.581
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -20.954
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -131.168925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.168925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.168925 (E_RNA)
where:
Base-Base interactions energy: -47.615
where: short stacking energy: -40.846
Base-Backbone interact. energy: -1.696
local terms energy: -81.858110
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -4.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -397.425255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.425255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.425255 (E_RNA)
where:
Base-Base interactions energy: -276.502
where: short stacking energy: -126.042
Base-Backbone interact. energy: -0.387
local terms energy: -120.536751
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -26.264
flat angles C4'-P-C4' energy: -27.113
flat angles P-C4'-P energy: -19.445
tors. eta vs tors. theta energy: -31.053
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: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -419.180408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.180408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.180408 (E_RNA)
where:
Base-Base interactions energy: -283.087
where: short stacking energy: -134.967
Base-Backbone interact. energy: -0.009
local terms energy: -136.084996
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -27.103
flat angles C4'-P-C4' energy: -28.219
flat angles P-C4'-P energy: -19.445
tors. eta vs tors. theta energy: -40.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -354.562584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.562584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.562584 (E_RNA)
where:
Base-Base interactions energy: -218.239
where: short stacking energy: -123.930
Base-Backbone interact. energy: -0.476
local terms energy: -135.847712
where:
bonds (distance) C4'-P energy: -27.975
bonds (distance) P-C4' energy: -26.845
flat angles C4'-P-C4' energy: -27.802
flat angles P-C4'-P energy: -22.563
tors. eta vs tors. theta energy: -30.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -332.788751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.788751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.788751 (E_RNA)
where:
Base-Base interactions energy: -215.434
where: short stacking energy: -116.041
Base-Backbone interact. energy: -0.359
local terms energy: -116.995473
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -25.204
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -17.455
tors. eta vs tors. theta energy: -33.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -292.200986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.200986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.200986 (E_RNA)
where:
Base-Base interactions energy: -173.811
where: short stacking energy: -96.799
Base-Backbone interact. energy: -0.423
local terms energy: -117.967019
where:
bonds (distance) C4'-P energy: -18.267
bonds (distance) P-C4' energy: -29.467
flat angles C4'-P-C4' energy: -27.448
flat angles P-C4'-P energy: -21.289
tors. eta vs tors. theta energy: -21.497
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: 5
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -267.260329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.260329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.260329 (E_RNA)
where:
Base-Base interactions energy: -158.662
where: short stacking energy: -93.572
Base-Backbone interact. energy: -0.161
local terms energy: -108.436751
where:
bonds (distance) C4'-P energy: -25.478
bonds (distance) P-C4' energy: -23.140
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -18.867
tors. eta vs tors. theta energy: -20.395
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: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -254.279974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.279974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.279974 (E_RNA)
where:
Base-Base interactions energy: -146.000
where: short stacking energy: -88.836
Base-Backbone interact. energy: -0.539
local terms energy: -107.741179
where:
bonds (distance) C4'-P energy: -24.699
bonds (distance) P-C4' energy: -24.630
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -20.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -152.607962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.607962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.607962 (E_RNA)
where:
Base-Base interactions energy: -67.437
where: short stacking energy: -49.618
Base-Backbone interact. energy: -0.813
local terms energy: -84.358401
where:
bonds (distance) C4'-P energy: -23.429
bonds (distance) P-C4' energy: -26.286
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -143.575783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.575783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.575783 (E_RNA)
where:
Base-Base interactions energy: -57.741
where: short stacking energy: -54.084
Base-Backbone interact. energy: -0.683
local terms energy: -85.151797
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -22.379
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -124.068900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.068900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.068900 (E_RNA)
where:
Base-Base interactions energy: -48.701
where: short stacking energy: -48.701
Base-Backbone interact. energy: -0.333
local terms energy: -75.035130
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -23.732
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -5.276
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -421.185655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.185655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.185655 (E_RNA)
where:
Base-Base interactions energy: -273.663
where: short stacking energy: -128.545
Base-Backbone interact. energy: -0.664
local terms energy: -146.858695
where:
bonds (distance) C4'-P energy: -25.345
bonds (distance) P-C4' energy: -28.089
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -22.475
tors. eta vs tors. theta energy: -40.554
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: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -424.012933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.012933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.012933 (E_RNA)
where:
Base-Base interactions energy: -285.004
where: short stacking energy: -150.380
Base-Backbone interact. energy: -1.781
local terms energy: -137.227591
where:
bonds (distance) C4'-P energy: -29.631
bonds (distance) P-C4' energy: -25.396
flat angles C4'-P-C4' energy: -29.406
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -39.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -333.621627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.621627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.621627 (E_RNA)
where:
Base-Base interactions energy: -205.433
where: short stacking energy: -112.393
Base-Backbone interact. energy: -0.342
local terms energy: -127.847145
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -26.635
flat angles C4'-P-C4' energy: -28.009
flat angles P-C4'-P energy: -22.481
tors. eta vs tors. theta energy: -26.672
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: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -344.477506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.477506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.477506 (E_RNA)
where:
Base-Base interactions energy: -212.573
where: short stacking energy: -125.979
Base-Backbone interact. energy: -0.044
local terms energy: -131.861322
where:
bonds (distance) C4'-P energy: -27.933
bonds (distance) P-C4' energy: -24.441
flat angles C4'-P-C4' energy: -28.332
flat angles P-C4'-P energy: -18.905
tors. eta vs tors. theta energy: -32.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -309.779693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.779693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.779693 (E_RNA)
where:
Base-Base interactions energy: -190.245
where: short stacking energy: -110.034
Base-Backbone interact. energy: -0.257
local terms energy: -119.278021
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -29.166
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -30.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -268.153066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.153066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.153066 (E_RNA)
where:
Base-Base interactions energy: -168.901
where: short stacking energy: -94.377
Base-Backbone interact. energy: -1.559
local terms energy: -97.693107
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -27.190
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -21.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -242.700484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.700484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.700484 (E_RNA)
where:
Base-Base interactions energy: -153.942
where: short stacking energy: -82.761
Base-Backbone interact. energy: 2.253
local terms energy: -91.011931
where:
bonds (distance) C4'-P energy: -24.990
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -16.131
tors. eta vs tors. theta energy: -13.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -146.817757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.817757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.817757 (E_RNA)
where:
Base-Base interactions energy: -61.344
where: short stacking energy: -56.957
Base-Backbone interact. energy: -1.355
local terms energy: -84.118874
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -7.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -136.980317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.980317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.980317 (E_RNA)
where:
Base-Base interactions energy: -57.696
where: short stacking energy: -55.196
Base-Backbone interact. energy: -0.512
local terms energy: -78.772528
where:
bonds (distance) C4'-P energy: -26.615
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -21.574
flat angles P-C4'-P energy: -5.296
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: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -116.970464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.970464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.970464 (E_RNA)
where:
Base-Base interactions energy: -43.093
where: short stacking energy: -38.907
Base-Backbone interact. energy: -0.185
local terms energy: -73.692180
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -25.683
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -439.906691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.906691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.906691 (E_RNA)
where:
Base-Base interactions energy: -288.449
where: short stacking energy: -143.314
Base-Backbone interact. energy: -1.088
local terms energy: -150.369962
where:
bonds (distance) C4'-P energy: -25.483
bonds (distance) P-C4' energy: -26.658
flat angles C4'-P-C4' energy: -30.257
flat angles P-C4'-P energy: -24.980
tors. eta vs tors. theta energy: -42.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -404.756297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.756297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.756297 (E_RNA)
where:
Base-Base interactions energy: -270.579
where: short stacking energy: -133.968
Base-Backbone interact. energy: -0.022
local terms energy: -134.154937
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -27.864
flat angles C4'-P-C4' energy: -29.811
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -36.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -350.101749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.101749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.101749 (E_RNA)
where:
Base-Base interactions energy: -230.819
where: short stacking energy: -126.333
Base-Backbone interact. energy: -0.224
local terms energy: -119.057944
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -21.741
tors. eta vs tors. theta energy: -34.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -341.352248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.352248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.352248 (E_RNA)
where:
Base-Base interactions energy: -221.621
where: short stacking energy: -122.737
Base-Backbone interact. energy: -0.951
local terms energy: -118.779866
where:
bonds (distance) C4'-P energy: -27.519
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -23.857
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -33.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -269.013018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.013018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.013018 (E_RNA)
where:
Base-Base interactions energy: -163.816
where: short stacking energy: -90.364
Base-Backbone interact. energy: -0.062
local terms energy: -105.135457
where:
bonds (distance) C4'-P energy: -24.587
bonds (distance) P-C4' energy: -20.354
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -18.130
tors. eta vs tors. theta energy: -23.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -257.213525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.213525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.213525 (E_RNA)
where:
Base-Base interactions energy: -163.884
where: short stacking energy: -98.297
Base-Backbone interact. energy: 0.546
local terms energy: -93.875887
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -21.259
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: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -244.883272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.883272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.883272 (E_RNA)
where:
Base-Base interactions energy: -143.556
where: short stacking energy: -78.459
Base-Backbone interact. energy: 0.066
local terms energy: -101.393353
where:
bonds (distance) C4'-P energy: -23.731
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -137.497419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.497419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.497419 (E_RNA)
where:
Base-Base interactions energy: -55.654
where: short stacking energy: -55.654
Base-Backbone interact. energy: 0.008
local terms energy: -81.851648
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -24.066
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -7.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -140.440354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.440354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.440354 (E_RNA)
where:
Base-Base interactions energy: -54.824
where: short stacking energy: -53.210
Base-Backbone interact. energy: -0.150
local terms energy: -85.465540
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -25.162
flat angles C4'-P-C4' energy: -22.005
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -127.246812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.246812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.246812 (E_RNA)
where:
Base-Base interactions energy: -45.221
where: short stacking energy: -43.136
Base-Backbone interact. energy: 0.632
local terms energy: -82.657275
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -0.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -431.951445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.951445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.951445 (E_RNA)
where:
Base-Base interactions energy: -285.329
where: short stacking energy: -148.508
Base-Backbone interact. energy: -0.003
local terms energy: -146.619600
where:
bonds (distance) C4'-P energy: -22.626
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -29.622
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -45.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -411.618902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.618902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.618902 (E_RNA)
where:
Base-Base interactions energy: -274.364
where: short stacking energy: -118.286
Base-Backbone interact. energy: -0.935
local terms energy: -136.319478
where:
bonds (distance) C4'-P energy: -25.105
bonds (distance) P-C4' energy: -27.026
flat angles C4'-P-C4' energy: -27.128
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -36.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -361.923526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.923526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.923526 (E_RNA)
where:
Base-Base interactions energy: -227.937
where: short stacking energy: -127.027
Base-Backbone interact. energy: -0.400
local terms energy: -133.585841
where:
bonds (distance) C4'-P energy: -27.182
bonds (distance) P-C4' energy: -23.363
flat angles C4'-P-C4' energy: -25.071
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -40.206
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: 9
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -333.199514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.199514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.199514 (E_RNA)
where:
Base-Base interactions energy: -206.866
where: short stacking energy: -110.442
Base-Backbone interact. energy: -0.475
local terms energy: -125.859260
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -24.284
flat angles C4'-P-C4' energy: -25.175
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -31.127
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: 5, replica: 8
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -284.180996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.180996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.180996 (E_RNA)
where:
Base-Base interactions energy: -175.869
where: short stacking energy: -100.983
Base-Backbone interact. energy: -0.317
local terms energy: -107.994572
where:
bonds (distance) C4'-P energy: -25.917
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -25.012
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -20.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -281.620762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.620762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.620762 (E_RNA)
where:
Base-Base interactions energy: -171.405
where: short stacking energy: -82.181
Base-Backbone interact. energy: -1.746
local terms energy: -108.469247
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -28.535
flat angles C4'-P-C4' energy: -26.522
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: -17.338
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: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -221.740964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.740964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.740964 (E_RNA)
where:
Base-Base interactions energy: -123.291
where: short stacking energy: -62.869
Base-Backbone interact. energy: -3.650
local terms energy: -94.799279
where:
bonds (distance) C4'-P energy: -27.601
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -10.985
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: 8, replica: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -150.345890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.345890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.345890 (E_RNA)
where:
Base-Base interactions energy: -67.332
where: short stacking energy: -55.935
Base-Backbone interact. energy: -0.337
local terms energy: -82.676548
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -24.733
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -133.331291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.331291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.331291 (E_RNA)
where:
Base-Base interactions energy: -44.864
where: short stacking energy: -41.345
Base-Backbone interact. energy: -0.818
local terms energy: -87.649580
where:
bonds (distance) C4'-P energy: -27.838
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -16.923
tors. eta vs tors. theta energy: -1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -134.407084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.407084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.407084 (E_RNA)
where:
Base-Base interactions energy: -51.012
where: short stacking energy: -37.978
Base-Backbone interact. energy: -0.716
local terms energy: -82.678516
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -15.946
tors. eta vs tors. theta energy: 3.255
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -421.802133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.802133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.802133 (E_RNA)
where:
Base-Base interactions energy: -287.651
where: short stacking energy: -130.654
Base-Backbone interact. energy: -1.269
local terms energy: -132.882820
where:
bonds (distance) C4'-P energy: -26.027
bonds (distance) P-C4' energy: -27.381
flat angles C4'-P-C4' energy: -23.049
flat angles P-C4'-P energy: -19.812
tors. eta vs tors. theta energy: -36.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -416.660313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.660313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.660313 (E_RNA)
where:
Base-Base interactions energy: -276.838
where: short stacking energy: -141.193
Base-Backbone interact. energy: -0.025
local terms energy: -139.796762
where:
bonds (distance) C4'-P energy: -25.268
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -26.186
flat angles P-C4'-P energy: -19.102
tors. eta vs tors. theta energy: -43.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -352.154393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.154393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.154393 (E_RNA)
where:
Base-Base interactions energy: -224.138
where: short stacking energy: -129.721
Base-Backbone interact. energy: -0.110
local terms energy: -127.907000
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -24.611
flat angles C4'-P-C4' energy: -28.369
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -38.355
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: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -347.803970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.803970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.803970 (E_RNA)
where:
Base-Base interactions energy: -214.586
where: short stacking energy: -118.956
Base-Backbone interact. energy: -0.430
local terms energy: -132.788255
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -28.245
flat angles P-C4'-P energy: -18.427
tors. eta vs tors. theta energy: -35.340
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: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -290.003493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.003493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.003493 (E_RNA)
where:
Base-Base interactions energy: -184.835
where: short stacking energy: -97.441
Base-Backbone interact. energy: -1.685
local terms energy: -103.484199
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -29.751
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -287.879811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.879811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.879811 (E_RNA)
where:
Base-Base interactions energy: -176.683
where: short stacking energy: -93.238
Base-Backbone interact. energy: -0.662
local terms energy: -110.534548
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -22.497
flat angles C4'-P-C4' energy: -26.006
flat angles P-C4'-P energy: -17.419
tors. eta vs tors. theta energy: -27.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -244.175438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.175438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.175438 (E_RNA)
where:
Base-Base interactions energy: -143.069
where: short stacking energy: -75.100
Base-Backbone interact. energy: -1.644
local terms energy: -99.462974
where:
bonds (distance) C4'-P energy: -22.932
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -16.580
tors. eta vs tors. theta energy: -22.213
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: 254
Temperature: 1.250000
Total energy: -150.344525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.344525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.344525 (E_RNA)
where:
Base-Base interactions energy: -60.604
where: short stacking energy: -58.706
Base-Backbone interact. energy: -0.133
local terms energy: -89.607389
where:
bonds (distance) C4'-P energy: -27.399
bonds (distance) P-C4' energy: -27.809
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -133.123922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.123922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.123922 (E_RNA)
where:
Base-Base interactions energy: -44.839
where: short stacking energy: -41.063
Base-Backbone interact. energy: -1.542
local terms energy: -86.743722
where:
bonds (distance) C4'-P energy: -25.993
bonds (distance) P-C4' energy: -29.490
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -153.699365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.699365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.699365 (E_RNA)
where:
Base-Base interactions energy: -70.029
where: short stacking energy: -48.104
Base-Backbone interact. energy: -0.212
local terms energy: -83.458696
where:
bonds (distance) C4'-P energy: -24.820
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -23.800
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -430.269566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.269566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.269566 (E_RNA)
where:
Base-Base interactions energy: -287.419
where: short stacking energy: -133.028
Base-Backbone interact. energy: -1.377
local terms energy: -141.473520
where:
bonds (distance) C4'-P energy: -30.037
bonds (distance) P-C4' energy: -27.491
flat angles C4'-P-C4' energy: -29.633
flat angles P-C4'-P energy: -22.009
tors. eta vs tors. theta energy: -32.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -421.139771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.139771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.139771 (E_RNA)
where:
Base-Base interactions energy: -274.569
where: short stacking energy: -135.818
Base-Backbone interact. energy: -0.489
local terms energy: -146.081788
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -27.728
flat angles C4'-P-C4' energy: -31.052
flat angles P-C4'-P energy: -25.542
tors. eta vs tors. theta energy: -40.898
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: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -367.528418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.528418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.528418 (E_RNA)
where:
Base-Base interactions energy: -231.058
where: short stacking energy: -132.630
Base-Backbone interact. energy: -0.048
local terms energy: -136.422744
where:
bonds (distance) C4'-P energy: -27.263
bonds (distance) P-C4' energy: -24.262
flat angles C4'-P-C4' energy: -24.462
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -41.163
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: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -314.630348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.630348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.630348 (E_RNA)
where:
Base-Base interactions energy: -204.952
where: short stacking energy: -116.550
Base-Backbone interact. energy: -1.406
local terms energy: -108.272339
where:
bonds (distance) C4'-P energy: -25.246
bonds (distance) P-C4' energy: -22.682
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -28.965
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: 5, replica: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -319.470573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.470573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.470573 (E_RNA)
where:
Base-Base interactions energy: -197.485
where: short stacking energy: -100.752
Base-Backbone interact. energy: -0.111
local terms energy: -121.875120
where:
bonds (distance) C4'-P energy: -28.530
bonds (distance) P-C4' energy: -22.419
flat angles C4'-P-C4' energy: -22.983
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -32.631
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: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -261.924968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.924968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.924968 (E_RNA)
where:
Base-Base interactions energy: -156.972
where: short stacking energy: -90.081
Base-Backbone interact. energy: -0.129
local terms energy: -104.824065
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -25.739
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -252.366064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.366064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.366064 (E_RNA)
where:
Base-Base interactions energy: -148.513
where: short stacking energy: -83.202
Base-Backbone interact. energy: 0.780
local terms energy: -104.632872
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -21.390
flat angles C4'-P-C4' energy: -26.841
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -24.240
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: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -133.846544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.846544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.846544 (E_RNA)
where:
Base-Base interactions energy: -49.332
where: short stacking energy: -34.642
Base-Backbone interact. energy: 2.866
local terms energy: -87.380055
where:
bonds (distance) C4'-P energy: -25.683
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -26.268
flat angles P-C4'-P energy: -16.794
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: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -150.708327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.708327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.708327 (E_RNA)
where:
Base-Base interactions energy: -79.507
where: short stacking energy: -51.521
Base-Backbone interact. energy: 0.324
local terms energy: -71.525263
where:
bonds (distance) C4'-P energy: -26.576
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -9.781
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -119.828937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.828937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.828937 (E_RNA)
where:
Base-Base interactions energy: -46.794
where: short stacking energy: -22.275
Base-Backbone interact. energy: -0.578
local terms energy: -72.456830
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -24.775
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: 2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -412.120094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.120094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.120094 (E_RNA)
where:
Base-Base interactions energy: -280.352
where: short stacking energy: -133.082
Base-Backbone interact. energy: -0.183
local terms energy: -131.585225
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -24.824
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -20.666
tors. eta vs tors. theta energy: -32.497
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: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -418.877688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.877688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.877688 (E_RNA)
where:
Base-Base interactions energy: -282.924
where: short stacking energy: -149.359
Base-Backbone interact. energy: -0.899
local terms energy: -135.054536
where:
bonds (distance) C4'-P energy: -26.016
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -28.737
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -41.396
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: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -340.121577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.121577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.121577 (E_RNA)
where:
Base-Base interactions energy: -212.448
where: short stacking energy: -122.718
Base-Backbone interact. energy: -0.722
local terms energy: -126.952228
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -29.664
flat angles P-C4'-P energy: -22.098
tors. eta vs tors. theta energy: -28.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -328.881524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.881524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.881524 (E_RNA)
where:
Base-Base interactions energy: -216.516
where: short stacking energy: -107.520
Base-Backbone interact. energy: 1.400
local terms energy: -113.766127
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -27.565
flat angles C4'-P-C4' energy: -23.532
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -27.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -316.187475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.187475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.187475 (E_RNA)
where:
Base-Base interactions energy: -193.724
where: short stacking energy: -94.913
Base-Backbone interact. energy: -0.817
local terms energy: -121.646420
where:
bonds (distance) C4'-P energy: -26.464
bonds (distance) P-C4' energy: -27.804
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -21.431
tors. eta vs tors. theta energy: -25.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -282.134159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.134159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.134159 (E_RNA)
where:
Base-Base interactions energy: -172.937
where: short stacking energy: -99.217
Base-Backbone interact. energy: -0.402
local terms energy: -108.795292
where:
bonds (distance) C4'-P energy: -24.277
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -27.629
flat angles P-C4'-P energy: -14.817
tors. eta vs tors. theta energy: -17.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -218.327085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.327085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.327085 (E_RNA)
where:
Base-Base interactions energy: -117.938
where: short stacking energy: -56.291
Base-Backbone interact. energy: -1.440
local terms energy: -98.948826
where:
bonds (distance) C4'-P energy: -25.777
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -22.246
flat angles P-C4'-P energy: -16.238
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: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -140.596423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.596423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.596423 (E_RNA)
where:
Base-Base interactions energy: -55.078
where: short stacking energy: -48.349
Base-Backbone interact. energy: -0.308
local terms energy: -85.210118
where:
bonds (distance) C4'-P energy: -20.415
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -18.974
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -139.809925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.809925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.809925 (E_RNA)
where:
Base-Base interactions energy: -56.829
where: short stacking energy: -56.829
Base-Backbone interact. energy: -0.334
local terms energy: -82.646693
where:
bonds (distance) C4'-P energy: -27.416
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -18.325
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: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -141.519727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.519727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.519727 (E_RNA)
where:
Base-Base interactions energy: -51.444
where: short stacking energy: -50.827
Base-Backbone interact. energy: -0.472
local terms energy: -89.603960
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -22.335
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -13.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -417.303937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.303937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.303937 (E_RNA)
where:
Base-Base interactions energy: -286.743
where: short stacking energy: -134.707
Base-Backbone interact. energy: -0.368
local terms energy: -130.192268
where:
bonds (distance) C4'-P energy: -27.776
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -27.727
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -36.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -413.796616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.796616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.796616 (E_RNA)
where:
Base-Base interactions energy: -275.858
where: short stacking energy: -133.656
Base-Backbone interact. energy: -0.416
local terms energy: -137.523073
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -29.906
flat angles C4'-P-C4' energy: -26.437
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -36.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -338.579364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.579364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.579364 (E_RNA)
where:
Base-Base interactions energy: -215.069
where: short stacking energy: -108.453
Base-Backbone interact. energy: -0.824
local terms energy: -122.685948
where:
bonds (distance) C4'-P energy: -27.052
bonds (distance) P-C4' energy: -25.991
flat angles C4'-P-C4' energy: -22.256
flat angles P-C4'-P energy: -17.193
tors. eta vs tors. theta energy: -30.193
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: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -342.321089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.321089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.321089 (E_RNA)
where:
Base-Base interactions energy: -217.813
where: short stacking energy: -117.289
Base-Backbone interact. energy: -0.376
local terms energy: -124.132024
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -20.533
tors. eta vs tors. theta energy: -29.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -338.097380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.097380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.097380 (E_RNA)
where:
Base-Base interactions energy: -212.899
where: short stacking energy: -112.357
Base-Backbone interact. energy: -0.108
local terms energy: -125.090743
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -27.196
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -34.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -273.465106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.465106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.465106 (E_RNA)
where:
Base-Base interactions energy: -166.406
where: short stacking energy: -89.779
Base-Backbone interact. energy: -0.319
local terms energy: -106.740587
where:
bonds (distance) C4'-P energy: -28.026
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -16.247
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -249.776223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.776223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.776223 (E_RNA)
where:
Base-Base interactions energy: -149.174
where: short stacking energy: -87.413
Base-Backbone interact. energy: -0.497
local terms energy: -100.105426
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -23.034
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -21.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -153.551186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.551186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.551186 (E_RNA)
where:
Base-Base interactions energy: -67.552
where: short stacking energy: -45.358
Base-Backbone interact. energy: -0.190
local terms energy: -85.809089
where:
bonds (distance) C4'-P energy: -20.783
bonds (distance) P-C4' energy: -18.289
flat angles C4'-P-C4' energy: -27.401
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -7.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -134.437734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.437734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.437734 (E_RNA)
where:
Base-Base interactions energy: -49.266
where: short stacking energy: -47.416
Base-Backbone interact. energy: -0.830
local terms energy: -84.341751
where:
bonds (distance) C4'-P energy: -23.780
bonds (distance) P-C4' energy: -25.846
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -2.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -116.427899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.427899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.427899 (E_RNA)
where:
Base-Base interactions energy: -47.686
where: short stacking energy: -47.686
Base-Backbone interact. energy: -0.318
local terms energy: -68.424273
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: 0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -435.134737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.134737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.134737 (E_RNA)
where:
Base-Base interactions energy: -286.040
where: short stacking energy: -143.211
Base-Backbone interact. energy: -1.349
local terms energy: -147.745112
where:
bonds (distance) C4'-P energy: -26.728
bonds (distance) P-C4' energy: -25.825
flat angles C4'-P-C4' energy: -30.297
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: -43.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -413.087457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.087457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.087457 (E_RNA)
where:
Base-Base interactions energy: -286.169
where: short stacking energy: -134.316
Base-Backbone interact. energy: -0.893
local terms energy: -126.026056
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -24.179
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -19.917
tors. eta vs tors. theta energy: -37.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -362.410814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.410814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.410814 (E_RNA)
where:
Base-Base interactions energy: -230.330
where: short stacking energy: -123.660
Base-Backbone interact. energy: -0.151
local terms energy: -131.929587
where:
bonds (distance) C4'-P energy: -24.108
bonds (distance) P-C4' energy: -26.374
flat angles C4'-P-C4' energy: -30.119
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -34.533
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: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -307.553172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.553172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.553172 (E_RNA)
where:
Base-Base interactions energy: -193.168
where: short stacking energy: -87.822
Base-Backbone interact. energy: -1.445
local terms energy: -112.939560
where:
bonds (distance) C4'-P energy: -24.971
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -24.576
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -22.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -322.990124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.990124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.990124 (E_RNA)
where:
Base-Base interactions energy: -206.474
where: short stacking energy: -105.545
Base-Backbone interact. energy: -0.365
local terms energy: -116.150863
where:
bonds (distance) C4'-P energy: -25.130
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -25.740
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -28.743
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: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -284.971263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.971263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.971263 (E_RNA)
where:
Base-Base interactions energy: -179.020
where: short stacking energy: -92.759
Base-Backbone interact. energy: -0.250
local terms energy: -105.701097
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -232.050340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.050340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.050340 (E_RNA)
where:
Base-Base interactions energy: -138.427
where: short stacking energy: -80.384
Base-Backbone interact. energy: -0.230
local terms energy: -93.393399
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -20.835
flat angles P-C4'-P energy: -20.721
tors. eta vs tors. theta energy: -9.781
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: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -146.329328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.329328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.329328 (E_RNA)
where:
Base-Base interactions energy: -63.108
where: short stacking energy: -61.594
Base-Backbone interact. energy: -0.109
local terms energy: -83.112065
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -23.137
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -7.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -136.333694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.333694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.333694 (E_RNA)
where:
Base-Base interactions energy: -47.688
where: short stacking energy: -48.444
Base-Backbone interact. energy: -0.047
local terms energy: -88.599199
where:
bonds (distance) C4'-P energy: -23.354
bonds (distance) P-C4' energy: -22.704
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -10.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -133.096509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.096509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.096509 (E_RNA)
where:
Base-Base interactions energy: -48.226
where: short stacking energy: -47.050
Base-Backbone interact. energy: -0.131
local terms energy: -84.739901
where:
bonds (distance) C4'-P energy: -24.314
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -428.201253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.201253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.201253 (E_RNA)
where:
Base-Base interactions energy: -277.148
where: short stacking energy: -138.386
Base-Backbone interact. energy: -0.650
local terms energy: -150.404006
where:
bonds (distance) C4'-P energy: -27.892
bonds (distance) P-C4' energy: -28.243
flat angles C4'-P-C4' energy: -31.390
flat angles P-C4'-P energy: -19.427
tors. eta vs tors. theta energy: -43.451
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: 4
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -408.621899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.621899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.621899 (E_RNA)
where:
Base-Base interactions energy: -274.560
where: short stacking energy: -123.226
Base-Backbone interact. energy: -0.226
local terms energy: -133.835578
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -26.870
flat angles C4'-P-C4' energy: -28.279
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -35.140
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: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -364.777501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.777501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.777501 (E_RNA)
where:
Base-Base interactions energy: -229.392
where: short stacking energy: -127.337
Base-Backbone interact. energy: -0.941
local terms energy: -134.444729
where:
bonds (distance) C4'-P energy: -26.008
bonds (distance) P-C4' energy: -27.705
flat angles C4'-P-C4' energy: -25.404
flat angles P-C4'-P energy: -18.274
tors. eta vs tors. theta energy: -37.055
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: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -344.957093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.957093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.957093 (E_RNA)
where:
Base-Base interactions energy: -213.482
where: short stacking energy: -111.914
Base-Backbone interact. energy: -1.658
local terms energy: -129.817541
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -26.266
flat angles C4'-P-C4' energy: -26.063
flat angles P-C4'-P energy: -23.063
tors. eta vs tors. theta energy: -34.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -308.024094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.024094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.024094 (E_RNA)
where:
Base-Base interactions energy: -196.043
where: short stacking energy: -112.608
Base-Backbone interact. energy: -0.412
local terms energy: -111.569063
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -27.113
flat angles P-C4'-P energy: -18.891
tors. eta vs tors. theta energy: -31.683
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: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -292.939141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.939141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.939141 (E_RNA)
where:
Base-Base interactions energy: -178.016
where: short stacking energy: -94.012
Base-Backbone interact. energy: -0.226
local terms energy: -114.697452
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -28.486
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -28.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -204.577571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.577571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.577571 (E_RNA)
where:
Base-Base interactions energy: -117.060
where: short stacking energy: -77.174
Base-Backbone interact. energy: 0.226
local terms energy: -87.743609
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -20.587
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -23.276
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: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -140.681897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.681897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.681897 (E_RNA)
where:
Base-Base interactions energy: -59.678
where: short stacking energy: -39.712
Base-Backbone interact. energy: -0.861
local terms energy: -80.142651
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -133.791507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.791507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.791507 (E_RNA)
where:
Base-Base interactions energy: -55.183
where: short stacking energy: -48.639
Base-Backbone interact. energy: -0.136
local terms energy: -78.472654
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -15.352
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: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -133.478717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.478717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.478717 (E_RNA)
where:
Base-Base interactions energy: -53.088
where: short stacking energy: -48.533
Base-Backbone interact. energy: -0.067
local terms energy: -80.324165
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -19.113
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -423.561086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.561086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.561086 (E_RNA)
where:
Base-Base interactions energy: -275.544
where: short stacking energy: -147.610
Base-Backbone interact. energy: 1.347
local terms energy: -149.363868
where:
bonds (distance) C4'-P energy: -24.575
bonds (distance) P-C4' energy: -25.887
flat angles C4'-P-C4' energy: -31.181
flat angles P-C4'-P energy: -23.684
tors. eta vs tors. theta energy: -44.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -413.848506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.848506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.848506 (E_RNA)
where:
Base-Base interactions energy: -281.801
where: short stacking energy: -122.246
Base-Backbone interact. energy: -0.990
local terms energy: -131.056848
where:
bonds (distance) C4'-P energy: -27.939
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -27.528
flat angles P-C4'-P energy: -21.267
tors. eta vs tors. theta energy: -35.139
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: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -361.413645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.413645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.413645 (E_RNA)
where:
Base-Base interactions energy: -226.593
where: short stacking energy: -132.671
Base-Backbone interact. energy: 0.586
local terms energy: -135.406341
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -28.702
flat angles P-C4'-P energy: -18.170
tors. eta vs tors. theta energy: -37.542
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: 9
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -353.945837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.945837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.945837 (E_RNA)
where:
Base-Base interactions energy: -219.836
where: short stacking energy: -118.563
Base-Backbone interact. energy: -1.199
local terms energy: -132.910911
where:
bonds (distance) C4'-P energy: -26.049
bonds (distance) P-C4' energy: -22.079
flat angles C4'-P-C4' energy: -26.895
flat angles P-C4'-P energy: -23.741
tors. eta vs tors. theta energy: -34.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -306.158868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.158868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.158868 (E_RNA)
where:
Base-Base interactions energy: -187.221
where: short stacking energy: -105.993
Base-Backbone interact. energy: 0.115
local terms energy: -119.052947
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -26.394
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -24.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -291.795774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.795774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.795774 (E_RNA)
where:
Base-Base interactions energy: -179.214
where: short stacking energy: -101.409
Base-Backbone interact. energy: -0.020
local terms energy: -112.561681
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -24.496
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -25.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -171.500252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.500252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.500252 (E_RNA)
where:
Base-Base interactions energy: -77.765
where: short stacking energy: -55.563
Base-Backbone interact. energy: 0.706
local terms energy: -94.441178
where:
bonds (distance) C4'-P energy: -24.545
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -27.870
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -8.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -254.940233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.940233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.940233 (E_RNA)
where:
Base-Base interactions energy: -152.198
where: short stacking energy: -81.379
Base-Backbone interact. energy: 0.093
local terms energy: -102.836020
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -29.581
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -14.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -137.771088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.771088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.771088 (E_RNA)
where:
Base-Base interactions energy: -57.277
where: short stacking energy: -51.562
Base-Backbone interact. energy: 2.751
local terms energy: -83.245225
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -26.778
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -127.233882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.233882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.233882 (E_RNA)
where:
Base-Base interactions energy: -55.427
where: short stacking energy: -51.357
Base-Backbone interact. energy: -0.355
local terms energy: -71.452060
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -26.072
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -3.768
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -425.841851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.841851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.841851 (E_RNA)
where:
Base-Base interactions energy: -278.328
where: short stacking energy: -140.182
Base-Backbone interact. energy: -0.468
local terms energy: -147.046268
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -25.964
flat angles C4'-P-C4' energy: -31.160
flat angles P-C4'-P energy: -24.466
tors. eta vs tors. theta energy: -44.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -414.694422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.694422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.694422 (E_RNA)
where:
Base-Base interactions energy: -272.158
where: short stacking energy: -126.075
Base-Backbone interact. energy: -1.273
local terms energy: -141.263600
where:
bonds (distance) C4'-P energy: -28.314
bonds (distance) P-C4' energy: -26.472
flat angles C4'-P-C4' energy: -29.024
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: -37.016
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: 3, replica: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -361.059664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.059664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.059664 (E_RNA)
where:
Base-Base interactions energy: -231.472
where: short stacking energy: -121.084
Base-Backbone interact. energy: -0.422
local terms energy: -129.166024
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -26.723
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -38.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -357.554020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.554020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.554020 (E_RNA)
where:
Base-Base interactions energy: -227.599
where: short stacking energy: -132.172
Base-Backbone interact. energy: -0.674
local terms energy: -129.280074
where:
bonds (distance) C4'-P energy: -23.934
bonds (distance) P-C4' energy: -23.385
flat angles C4'-P-C4' energy: -27.362
flat angles P-C4'-P energy: -18.734
tors. eta vs tors. theta energy: -35.865
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: 261
Temperature: 1.100000
Total energy: -292.037397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.037397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.037397 (E_RNA)
where:
Base-Base interactions energy: -173.954
where: short stacking energy: -95.044
Base-Backbone interact. energy: -0.152
local terms energy: -117.931118
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -26.079
flat angles C4'-P-C4' energy: -30.987
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -293.237333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.237333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.237333 (E_RNA)
where:
Base-Base interactions energy: -176.002
where: short stacking energy: -98.869
Base-Backbone interact. energy: -0.207
local terms energy: -117.028721
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -26.498
flat angles C4'-P-C4' energy: -23.877
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -26.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -136.506238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.506238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.506238 (E_RNA)
where:
Base-Base interactions energy: -53.196
where: short stacking energy: -49.546
Base-Backbone interact. energy: 0.654
local terms energy: -83.964470
where:
bonds (distance) C4'-P energy: -27.638
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -10.454
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: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -226.678418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.678418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.678418 (E_RNA)
where:
Base-Base interactions energy: -123.937
where: short stacking energy: -78.544
Base-Backbone interact. energy: -0.164
local terms energy: -102.576710
where:
bonds (distance) C4'-P energy: -22.111
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -29.049
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -142.384836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.384836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.384836 (E_RNA)
where:
Base-Base interactions energy: -64.249
where: short stacking energy: -39.445
Base-Backbone interact. energy: -0.232
local terms energy: -77.904547
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -12.809
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: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -147.796614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.796614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.796614 (E_RNA)
where:
Base-Base interactions energy: -74.047
where: short stacking energy: -49.601
Base-Backbone interact. energy: -0.594
local terms energy: -73.156195
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -6.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -419.838120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.838120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.838120 (E_RNA)
where:
Base-Base interactions energy: -276.037
where: short stacking energy: -135.602
Base-Backbone interact. energy: 0.040
local terms energy: -143.841117
where:
bonds (distance) C4'-P energy: -29.611
bonds (distance) P-C4' energy: -26.899
flat angles C4'-P-C4' energy: -27.331
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -39.475
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: 4
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -407.321416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.321416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.321416 (E_RNA)
where:
Base-Base interactions energy: -268.214
where: short stacking energy: -127.580
Base-Backbone interact. energy: -1.849
local terms energy: -137.258038
where:
bonds (distance) C4'-P energy: -27.925
bonds (distance) P-C4' energy: -22.515
flat angles C4'-P-C4' energy: -34.051
flat angles P-C4'-P energy: -17.498
tors. eta vs tors. theta energy: -35.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -327.631596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.631596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.631596 (E_RNA)
where:
Base-Base interactions energy: -208.413
where: short stacking energy: -114.140
Base-Backbone interact. energy: 0.737
local terms energy: -119.955598
where:
bonds (distance) C4'-P energy: -27.995
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -24.620
flat angles P-C4'-P energy: -16.953
tors. eta vs tors. theta energy: -25.794
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: 262
Temperature: 1.050000
Total energy: -342.890293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.890293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.890293 (E_RNA)
where:
Base-Base interactions energy: -214.093
where: short stacking energy: -113.823
Base-Backbone interact. energy: -1.664
local terms energy: -127.133685
where:
bonds (distance) C4'-P energy: -25.181
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -25.764
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -32.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -291.549370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.549370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.549370 (E_RNA)
where:
Base-Base interactions energy: -175.659
where: short stacking energy: -94.511
Base-Backbone interact. energy: 0.788
local terms energy: -116.679095
where:
bonds (distance) C4'-P energy: -24.819
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -28.537
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -308.659074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.659074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.659074 (E_RNA)
where:
Base-Base interactions energy: -175.908
where: short stacking energy: -99.445
Base-Backbone interact. energy: -0.285
local terms energy: -132.465733
where:
bonds (distance) C4'-P energy: -27.065
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -28.658
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -35.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -253.683292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.683292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.683292 (E_RNA)
where:
Base-Base interactions energy: -152.249
where: short stacking energy: -84.323
Base-Backbone interact. energy: -0.462
local terms energy: -100.971565
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -21.662
flat angles P-C4'-P energy: -17.520
tors. eta vs tors. theta energy: -19.264
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: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -145.169945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.169945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.169945 (E_RNA)
where:
Base-Base interactions energy: -49.088
where: short stacking energy: -42.825
Base-Backbone interact. energy: 0.347
local terms energy: -96.428305
where:
bonds (distance) C4'-P energy: -27.013
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -24.404
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -6.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -146.433353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.433353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.433353 (E_RNA)
where:
Base-Base interactions energy: -55.008
where: short stacking energy: -35.603
Base-Backbone interact. energy: -0.619
local terms energy: -90.805713
where:
bonds (distance) C4'-P energy: -24.166
bonds (distance) P-C4' energy: -29.449
flat angles C4'-P-C4' energy: -23.491
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -133.069785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.069785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.069785 (E_RNA)
where:
Base-Base interactions energy: -54.899
where: short stacking energy: -50.613
Base-Backbone interact. energy: -0.468
local terms energy: -77.702583
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -21.688
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: 0.884
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -426.704128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.704128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.704128 (E_RNA)
where:
Base-Base interactions energy: -280.001
where: short stacking energy: -134.321
Base-Backbone interact. energy: -0.052
local terms energy: -146.651708
where:
bonds (distance) C4'-P energy: -27.734
bonds (distance) P-C4' energy: -27.900
flat angles C4'-P-C4' energy: -29.153
flat angles P-C4'-P energy: -23.893
tors. eta vs tors. theta energy: -37.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -393.942951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.942951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.942951 (E_RNA)
where:
Base-Base interactions energy: -256.451
where: short stacking energy: -133.092
Base-Backbone interact. energy: 0.059
local terms energy: -137.550205
where:
bonds (distance) C4'-P energy: -25.763
bonds (distance) P-C4' energy: -24.185
flat angles C4'-P-C4' energy: -30.971
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -36.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -369.508695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.508695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.508695 (E_RNA)
where:
Base-Base interactions energy: -227.094
where: short stacking energy: -126.330
Base-Backbone interact. energy: -0.363
local terms energy: -142.051140
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -26.930
flat angles C4'-P-C4' energy: -27.724
flat angles P-C4'-P energy: -18.641
tors. eta vs tors. theta energy: -39.619
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: 4, replica: 1
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -352.688914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.688914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.688914 (E_RNA)
where:
Base-Base interactions energy: -220.980
where: short stacking energy: -116.781
Base-Backbone interact. energy: 0.534
local terms energy: -132.242925
where:
bonds (distance) C4'-P energy: -24.202
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -32.158
flat angles P-C4'-P energy: -17.864
tors. eta vs tors. theta energy: -37.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -285.193214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.193214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.193214 (E_RNA)
where:
Base-Base interactions energy: -181.341
where: short stacking energy: -107.544
Base-Backbone interact. energy: -0.105
local terms energy: -103.747116
where:
bonds (distance) C4'-P energy: -20.365
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -27.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -280.808631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.808631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.808631 (E_RNA)
where:
Base-Base interactions energy: -169.600
where: short stacking energy: -86.483
Base-Backbone interact. energy: -1.221
local terms energy: -109.988109
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -27.663
flat angles P-C4'-P energy: -20.363
tors. eta vs tors. theta energy: -24.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -230.453565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.453565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.453565 (E_RNA)
where:
Base-Base interactions energy: -145.037
where: short stacking energy: -78.755
Base-Backbone interact. energy: 0.062
local terms energy: -85.478026
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -25.293
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -8.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -152.479309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.479309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.479309 (E_RNA)
where:
Base-Base interactions energy: -61.972
where: short stacking energy: -56.607
Base-Backbone interact. energy: -0.934
local terms energy: -89.573163
where:
bonds (distance) C4'-P energy: -25.676
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -21.839
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -8.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -138.795226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.795226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.795226 (E_RNA)
where:
Base-Base interactions energy: -58.412
where: short stacking energy: -40.830
Base-Backbone interact. energy: 0.306
local terms energy: -80.689404
where:
bonds (distance) C4'-P energy: -26.638
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -28.157
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: 2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -134.180892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.180892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.180892 (E_RNA)
where:
Base-Base interactions energy: -63.199
where: short stacking energy: -50.331
Base-Backbone interact. energy: -0.845
local terms energy: -70.136975
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -2.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -427.463674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.463674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.463674 (E_RNA)
where:
Base-Base interactions energy: -284.658
where: short stacking energy: -146.541
Base-Backbone interact. energy: -0.003
local terms energy: -142.803361
where:
bonds (distance) C4'-P energy: -25.074
bonds (distance) P-C4' energy: -26.857
flat angles C4'-P-C4' energy: -29.244
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -43.540
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: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -404.629231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.629231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.629231 (E_RNA)
where:
Base-Base interactions energy: -270.787
where: short stacking energy: -135.764
Base-Backbone interact. energy: -1.087
local terms energy: -132.754740
where:
bonds (distance) C4'-P energy: -27.755
bonds (distance) P-C4' energy: -24.265
flat angles C4'-P-C4' energy: -30.832
flat angles P-C4'-P energy: -14.768
tors. eta vs tors. theta energy: -35.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -364.858072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.858072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.858072 (E_RNA)
where:
Base-Base interactions energy: -228.200
where: short stacking energy: -138.247
Base-Backbone interact. energy: -1.734
local terms energy: -134.924187
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -23.090
flat angles C4'-P-C4' energy: -29.453
flat angles P-C4'-P energy: -20.114
tors. eta vs tors. theta energy: -41.562
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: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -324.818505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.818505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.818505 (E_RNA)
where:
Base-Base interactions energy: -200.473
where: short stacking energy: -110.144
Base-Backbone interact. energy: -1.077
local terms energy: -123.268102
where:
bonds (distance) C4'-P energy: -21.153
bonds (distance) P-C4' energy: -24.358
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -21.471
tors. eta vs tors. theta energy: -31.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -298.091985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.091985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.091985 (E_RNA)
where:
Base-Base interactions energy: -187.559
where: short stacking energy: -108.795
Base-Backbone interact. energy: -0.048
local terms energy: -110.484653
where:
bonds (distance) C4'-P energy: -24.322
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -28.018
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: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -293.877227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.877227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.877227 (E_RNA)
where:
Base-Base interactions energy: -169.848
where: short stacking energy: -103.159
Base-Backbone interact. energy: -0.003
local terms energy: -124.025657
where:
bonds (distance) C4'-P energy: -27.097
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -28.585
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -28.075
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: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -251.313734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.313734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.313734 (E_RNA)
where:
Base-Base interactions energy: -140.257
where: short stacking energy: -80.313
Base-Backbone interact. energy: -0.169
local terms energy: -110.887840
where:
bonds (distance) C4'-P energy: -26.100
bonds (distance) P-C4' energy: -23.982
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -151.892729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.892729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.892729 (E_RNA)
where:
Base-Base interactions energy: -65.011
where: short stacking energy: -58.404
Base-Backbone interact. energy: -0.964
local terms energy: -85.917572
where:
bonds (distance) C4'-P energy: -24.193
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -23.849
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -8.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -138.039339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.039339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.039339 (E_RNA)
where:
Base-Base interactions energy: -59.442
where: short stacking energy: -57.936
Base-Backbone interact. energy: -0.641
local terms energy: -77.956072
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -24.856
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -3.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -126.493218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.493218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.493218 (E_RNA)
where:
Base-Base interactions energy: -51.070
where: short stacking energy: -36.079
Base-Backbone interact. energy: -0.246
local terms energy: -75.177728
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -2.295
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -421.843448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.843448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.843448 (E_RNA)
where:
Base-Base interactions energy: -283.743
where: short stacking energy: -135.038
Base-Backbone interact. energy: -0.219
local terms energy: -137.881225
where:
bonds (distance) C4'-P energy: -25.700
bonds (distance) P-C4' energy: -25.351
flat angles C4'-P-C4' energy: -27.796
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -41.885
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: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -399.719450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.719450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.719450 (E_RNA)
where:
Base-Base interactions energy: -264.272
where: short stacking energy: -131.784
Base-Backbone interact. energy: -0.506
local terms energy: -134.941923
where:
bonds (distance) C4'-P energy: -28.425
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -29.905
flat angles P-C4'-P energy: -17.685
tors. eta vs tors. theta energy: -36.262
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: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -350.037286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.037286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.037286 (E_RNA)
where:
Base-Base interactions energy: -211.858
where: short stacking energy: -116.788
Base-Backbone interact. energy: -0.303
local terms energy: -137.877031
where:
bonds (distance) C4'-P energy: -30.926
bonds (distance) P-C4' energy: -29.472
flat angles C4'-P-C4' energy: -26.481
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -33.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -319.589381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.589381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.589381 (E_RNA)
where:
Base-Base interactions energy: -188.777
where: short stacking energy: -103.641
Base-Backbone interact. energy: -0.051
local terms energy: -130.761294
where:
bonds (distance) C4'-P energy: -22.552
bonds (distance) P-C4' energy: -27.477
flat angles C4'-P-C4' energy: -31.124
flat angles P-C4'-P energy: -16.999
tors. eta vs tors. theta energy: -32.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -332.776685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.776685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.776685 (E_RNA)
where:
Base-Base interactions energy: -218.264
where: short stacking energy: -117.081
Base-Backbone interact. energy: -0.009
local terms energy: -114.504103
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -26.649
flat angles C4'-P-C4' energy: -25.286
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -30.096
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: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -290.467354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.467354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.467354 (E_RNA)
where:
Base-Base interactions energy: -180.243
where: short stacking energy: -94.766
Base-Backbone interact. energy: -0.246
local terms energy: -109.977716
where:
bonds (distance) C4'-P energy: -23.810
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -25.639
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -21.908
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: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -236.763944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.763944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.763944 (E_RNA)
where:
Base-Base interactions energy: -143.260
where: short stacking energy: -73.219
Base-Backbone interact. energy: -0.428
local terms energy: -93.075844
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -23.069
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -16.374
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: 8, replica: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -135.935847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.935847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.935847 (E_RNA)
where:
Base-Base interactions energy: -55.259
where: short stacking energy: -42.868
Base-Backbone interact. energy: -0.534
local terms energy: -80.142742
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: 4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -149.332923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.332923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.332923 (E_RNA)
where:
Base-Base interactions energy: -60.892
where: short stacking energy: -55.493
Base-Backbone interact. energy: 0.409
local terms energy: -88.849421
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -27.197
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -16.912
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: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -130.289868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.289868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.289868 (E_RNA)
where:
Base-Base interactions energy: -43.553
where: short stacking energy: -43.953
Base-Backbone interact. energy: -1.318
local terms energy: -85.418764
where:
bonds (distance) C4'-P energy: -22.763
bonds (distance) P-C4' energy: -24.501
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -4.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -428.371737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.371737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.371737 (E_RNA)
where:
Base-Base interactions energy: -288.032
where: short stacking energy: -142.688
Base-Backbone interact. energy: -0.219
local terms energy: -140.120271
where:
bonds (distance) C4'-P energy: -26.277
bonds (distance) P-C4' energy: -25.002
flat angles C4'-P-C4' energy: -29.835
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -41.982
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: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -396.547299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.547299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.547299 (E_RNA)
where:
Base-Base interactions energy: -265.205
where: short stacking energy: -131.232
Base-Backbone interact. energy: -0.744
local terms energy: -130.597867
where:
bonds (distance) C4'-P energy: -25.474
bonds (distance) P-C4' energy: -24.671
flat angles C4'-P-C4' energy: -25.364
flat angles P-C4'-P energy: -19.913
tors. eta vs tors. theta energy: -35.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -329.734248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.734248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.734248 (E_RNA)
where:
Base-Base interactions energy: -202.801
where: short stacking energy: -117.915
Base-Backbone interact. energy: -0.040
local terms energy: -126.893889
where:
bonds (distance) C4'-P energy: -25.494
bonds (distance) P-C4' energy: -24.400
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -35.119
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: 9
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -330.502698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.502698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.502698 (E_RNA)
where:
Base-Base interactions energy: -208.767
where: short stacking energy: -106.404
Base-Backbone interact. energy: -0.473
local terms energy: -121.263194
where:
bonds (distance) C4'-P energy: -24.248
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -29.481
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: -30.786
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: 5, replica: 1
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -312.356143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.356143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.356143 (E_RNA)
where:
Base-Base interactions energy: -189.656
where: short stacking energy: -106.194
Base-Backbone interact. energy: 0.078
local terms energy: -122.778085
where:
bonds (distance) C4'-P energy: -27.915
bonds (distance) P-C4' energy: -27.548
flat angles C4'-P-C4' energy: -28.300
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -21.283
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: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -280.930859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.930859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.930859 (E_RNA)
where:
Base-Base interactions energy: -175.160
where: short stacking energy: -98.049
Base-Backbone interact. energy: -0.306
local terms energy: -105.464781
where:
bonds (distance) C4'-P energy: -22.799
bonds (distance) P-C4' energy: -23.260
flat angles C4'-P-C4' energy: -23.274
flat angles P-C4'-P energy: -17.989
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -251.109425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.109425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.109425 (E_RNA)
where:
Base-Base interactions energy: -148.270
where: short stacking energy: -79.197
Base-Backbone interact. energy: -0.250
local terms energy: -102.590063
where:
bonds (distance) C4'-P energy: -28.029
bonds (distance) P-C4' energy: -28.614
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -12.131
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: 266
Temperature: 1.250000
Total energy: -156.050937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.050937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.050937 (E_RNA)
where:
Base-Base interactions energy: -72.858
where: short stacking energy: -46.202
Base-Backbone interact. energy: -0.897
local terms energy: -82.295195
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -25.334
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -1.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -124.378386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.378386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.378386 (E_RNA)
where:
Base-Base interactions energy: -38.900
where: short stacking energy: -34.377
Base-Backbone interact. energy: -0.119
local terms energy: -85.359295
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -17.959
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: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -126.421820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.421820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.421820 (E_RNA)
where:
Base-Base interactions energy: -52.388
where: short stacking energy: -50.507
Base-Backbone interact. energy: -0.326
local terms energy: -73.708156
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -3.316
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -429.358426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.358426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.358426 (E_RNA)
where:
Base-Base interactions energy: -282.890
where: short stacking energy: -141.615
Base-Backbone interact. energy: -0.446
local terms energy: -146.022888
where:
bonds (distance) C4'-P energy: -28.985
bonds (distance) P-C4' energy: -28.271
flat angles C4'-P-C4' energy: -24.998
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -41.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -396.717049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.717049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.717049 (E_RNA)
where:
Base-Base interactions energy: -266.806
where: short stacking energy: -121.581
Base-Backbone interact. energy: -2.105
local terms energy: -127.805821
where:
bonds (distance) C4'-P energy: -23.184
bonds (distance) P-C4' energy: -28.273
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -20.604
tors. eta vs tors. theta energy: -32.147
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: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -317.990255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.990255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.990255 (E_RNA)
where:
Base-Base interactions energy: -193.885
where: short stacking energy: -102.075
Base-Backbone interact. energy: -0.173
local terms energy: -123.932472
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -22.913
flat angles C4'-P-C4' energy: -28.858
flat angles P-C4'-P energy: -22.651
tors. eta vs tors. theta energy: -24.810
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: 9
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -318.499169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.499169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.499169 (E_RNA)
where:
Base-Base interactions energy: -204.454
where: short stacking energy: -99.072
Base-Backbone interact. energy: -0.205
local terms energy: -113.840638
where:
bonds (distance) C4'-P energy: -22.199
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -27.695
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -26.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -316.740305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.740305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.740305 (E_RNA)
where:
Base-Base interactions energy: -199.660
where: short stacking energy: -106.073
Base-Backbone interact. energy: -1.681
local terms energy: -115.399278
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -27.562
flat angles C4'-P-C4' energy: -26.685
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -30.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -259.538421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.538421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.538421 (E_RNA)
where:
Base-Base interactions energy: -155.310
where: short stacking energy: -89.028
Base-Backbone interact. energy: -0.075
local terms energy: -104.153644
where:
bonds (distance) C4'-P energy: -23.059
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -27.408
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -20.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -264.281557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.281557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.281557 (E_RNA)
where:
Base-Base interactions energy: -160.209
where: short stacking energy: -87.205
Base-Backbone interact. energy: -0.023
local terms energy: -104.049800
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -25.882
flat angles C4'-P-C4' energy: -26.640
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -22.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -137.303259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.303259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.303259 (E_RNA)
where:
Base-Base interactions energy: -54.055
where: short stacking energy: -52.667
Base-Backbone interact. energy: -0.384
local terms energy: -82.863784
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -15.851
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: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -130.989070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.989070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.989070 (E_RNA)
where:
Base-Base interactions energy: -49.784
where: short stacking energy: -42.737
Base-Backbone interact. energy: -0.290
local terms energy: -80.914920
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -26.198
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -17.798
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: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -139.997501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.997501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.997501 (E_RNA)
where:
Base-Base interactions energy: -63.341
where: short stacking energy: -41.559
Base-Backbone interact. energy: -1.503
local terms energy: -75.153131
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -23.672
flat angles P-C4'-P energy: -11.350
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -427.269955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.269955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.269955 (E_RNA)
where:
Base-Base interactions energy: -286.222
where: short stacking energy: -149.777
Base-Backbone interact. energy: -0.340
local terms energy: -140.708234
where:
bonds (distance) C4'-P energy: -25.293
bonds (distance) P-C4' energy: -22.009
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -21.931
tors. eta vs tors. theta energy: -41.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -399.313046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.313046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.313046 (E_RNA)
where:
Base-Base interactions energy: -268.616
where: short stacking energy: -125.569
Base-Backbone interact. energy: -0.681
local terms energy: -130.015946
where:
bonds (distance) C4'-P energy: -27.155
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -31.823
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -33.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -333.010779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.010779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.010779 (E_RNA)
where:
Base-Base interactions energy: -201.658
where: short stacking energy: -113.453
Base-Backbone interact. energy: -0.840
local terms energy: -130.512720
where:
bonds (distance) C4'-P energy: -25.313
bonds (distance) P-C4' energy: -23.583
flat angles C4'-P-C4' energy: -26.867
flat angles P-C4'-P energy: -23.407
tors. eta vs tors. theta energy: -31.343
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: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -329.456390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.456390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.456390 (E_RNA)
where:
Base-Base interactions energy: -193.200
where: short stacking energy: -110.434
Base-Backbone interact. energy: -1.534
local terms energy: -134.722242
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -31.407
flat angles P-C4'-P energy: -18.291
tors. eta vs tors. theta energy: -33.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -331.222699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.222699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.222699 (E_RNA)
where:
Base-Base interactions energy: -211.020
where: short stacking energy: -109.540
Base-Backbone interact. energy: -0.168
local terms energy: -120.035076
where:
bonds (distance) C4'-P energy: -22.257
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -25.599
flat angles P-C4'-P energy: -21.784
tors. eta vs tors. theta energy: -28.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -258.396678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.396678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.396678 (E_RNA)
where:
Base-Base interactions energy: -152.900
where: short stacking energy: -92.960
Base-Backbone interact. energy: -1.014
local terms energy: -104.482001
where:
bonds (distance) C4'-P energy: -22.987
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -22.736
flat angles P-C4'-P energy: -18.569
tors. eta vs tors. theta energy: -21.030
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: 8
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -260.048395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.048395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.048395 (E_RNA)
where:
Base-Base interactions energy: -160.228
where: short stacking energy: -91.346
Base-Backbone interact. energy: -1.130
local terms energy: -98.690590
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -23.527
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: 268
Temperature: 1.250000
Total energy: -158.676599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.676599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.676599 (E_RNA)
where:
Base-Base interactions energy: -69.617
where: short stacking energy: -51.268
Base-Backbone interact. energy: 0.043
local terms energy: -89.103040
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -23.006
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -1.949
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: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -138.694622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.694622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.694622 (E_RNA)
where:
Base-Base interactions energy: -54.477
where: short stacking energy: -54.303
Base-Backbone interact. energy: -0.384
local terms energy: -83.833742
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -20.424
tors. eta vs tors. theta energy: -3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -128.461933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.461933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.461933 (E_RNA)
where:
Base-Base interactions energy: -58.029
where: short stacking energy: -34.575
Base-Backbone interact. energy: -1.390
local terms energy: -69.042849
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -22.438
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -421.313283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.313283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.313283 (E_RNA)
where:
Base-Base interactions energy: -276.468
where: short stacking energy: -145.723
Base-Backbone interact. energy: -0.575
local terms energy: -144.270309
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -27.779
flat angles C4'-P-C4' energy: -29.684
flat angles P-C4'-P energy: -22.734
tors. eta vs tors. theta energy: -41.698
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: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -416.386960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.386960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.386960 (E_RNA)
where:
Base-Base interactions energy: -272.743
where: short stacking energy: -132.676
Base-Backbone interact. energy: -0.005
local terms energy: -143.639076
where:
bonds (distance) C4'-P energy: -23.799
bonds (distance) P-C4' energy: -27.639
flat angles C4'-P-C4' energy: -28.522
flat angles P-C4'-P energy: -23.349
tors. eta vs tors. theta energy: -40.329
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: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -328.135941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.135941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.135941 (E_RNA)
where:
Base-Base interactions energy: -212.609
where: short stacking energy: -116.532
Base-Backbone interact. energy: 0.868
local terms energy: -116.394744
where:
bonds (distance) C4'-P energy: -21.719
bonds (distance) P-C4' energy: -28.194
flat angles C4'-P-C4' energy: -27.212
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -24.670
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: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -346.876470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.876470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.876470 (E_RNA)
where:
Base-Base interactions energy: -219.878
where: short stacking energy: -119.076
Base-Backbone interact. energy: -0.980
local terms energy: -126.018178
where:
bonds (distance) C4'-P energy: -27.288
bonds (distance) P-C4' energy: -29.514
flat angles C4'-P-C4' energy: -28.410
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -28.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -300.323415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.323415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.323415 (E_RNA)
where:
Base-Base interactions energy: -188.225
where: short stacking energy: -99.797
Base-Backbone interact. energy: -1.209
local terms energy: -110.888495
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -27.103
flat angles C4'-P-C4' energy: -25.704
flat angles P-C4'-P energy: -17.756
tors. eta vs tors. theta energy: -26.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -286.011778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.011778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.011778 (E_RNA)
where:
Base-Base interactions energy: -176.267
where: short stacking energy: -103.039
Base-Backbone interact. energy: -0.491
local terms energy: -109.253832
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -27.013
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -26.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -239.703490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.703490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.703490 (E_RNA)
where:
Base-Base interactions energy: -131.438
where: short stacking energy: -73.457
Base-Backbone interact. energy: -0.212
local terms energy: -108.054336
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -20.640
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: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -151.220843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.220843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.220843 (E_RNA)
where:
Base-Base interactions energy: -69.039
where: short stacking energy: -62.870
Base-Backbone interact. energy: 0.071
local terms energy: -82.252529
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -25.122
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -131.553859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.553859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.553859 (E_RNA)
where:
Base-Base interactions energy: -38.511
where: short stacking energy: -33.807
Base-Backbone interact. energy: -0.114
local terms energy: -92.929200
where:
bonds (distance) C4'-P energy: -25.715
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -21.159
flat angles P-C4'-P energy: -18.094
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: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -131.448984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.448984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.448984 (E_RNA)
where:
Base-Base interactions energy: -49.090
where: short stacking energy: -44.473
Base-Backbone interact. energy: -0.812
local terms energy: -81.546682
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -22.545
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -6.568
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -406.279363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.279363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.279363 (E_RNA)
where:
Base-Base interactions energy: -272.077
where: short stacking energy: -134.120
Base-Backbone interact. energy: -0.355
local terms energy: -133.846727
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -20.754
flat angles C4'-P-C4' energy: -32.666
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -39.356
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: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -415.686086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.686086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.686086 (E_RNA)
where:
Base-Base interactions energy: -279.298
where: short stacking energy: -139.866
Base-Backbone interact. energy: -0.941
local terms energy: -135.447793
where:
bonds (distance) C4'-P energy: -25.110
bonds (distance) P-C4' energy: -22.727
flat angles C4'-P-C4' energy: -30.597
flat angles P-C4'-P energy: -17.639
tors. eta vs tors. theta energy: -39.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -324.668111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.668111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.668111 (E_RNA)
where:
Base-Base interactions energy: -203.709
where: short stacking energy: -114.345
Base-Backbone interact. energy: -0.162
local terms energy: -120.797000
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -25.908
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: -33.864
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: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -348.915273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.915273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.915273 (E_RNA)
where:
Base-Base interactions energy: -226.935
where: short stacking energy: -123.961
Base-Backbone interact. energy: -0.753
local terms energy: -121.226955
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -25.992
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -17.423
tors. eta vs tors. theta energy: -35.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -314.348752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.348752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.348752 (E_RNA)
where:
Base-Base interactions energy: -195.567
where: short stacking energy: -111.432
Base-Backbone interact. energy: -0.328
local terms energy: -118.454001
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -28.473
flat angles C4'-P-C4' energy: -29.063
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -26.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -275.188919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.188919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.188919 (E_RNA)
where:
Base-Base interactions energy: -162.053
where: short stacking energy: -91.594
Base-Backbone interact. energy: -0.542
local terms energy: -112.593518
where:
bonds (distance) C4'-P energy: -25.958
bonds (distance) P-C4' energy: -25.561
flat angles C4'-P-C4' energy: -24.957
flat angles P-C4'-P energy: -17.460
tors. eta vs tors. theta energy: -18.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -243.245346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.245346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.245346 (E_RNA)
where:
Base-Base interactions energy: -146.001
where: short stacking energy: -83.951
Base-Backbone interact. energy: -0.085
local terms energy: -97.159363
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -19.981
flat angles C4'-P-C4' energy: -20.494
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -153.345174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.345174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.345174 (E_RNA)
where:
Base-Base interactions energy: -61.039
where: short stacking energy: -61.039
Base-Backbone interact. energy: -0.659
local terms energy: -91.647325
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -24.350
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -7.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -131.660911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.660911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.660911 (E_RNA)
where:
Base-Base interactions energy: -43.356
where: short stacking energy: -32.477
Base-Backbone interact. energy: 0.609
local terms energy: -88.913681
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -32.234
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -18.208
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: 10, replica: 6
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -143.054520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.054520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.054520 (E_RNA)
where:
Base-Base interactions energy: -54.068
where: short stacking energy: -50.223
Base-Backbone interact. energy: -0.337
local terms energy: -88.649604
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -9.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -418.467771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.467771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.467771 (E_RNA)
where:
Base-Base interactions energy: -277.188
where: short stacking energy: -124.058
Base-Backbone interact. energy: -0.464
local terms energy: -140.816532
where:
bonds (distance) C4'-P energy: -26.481
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -30.056
flat angles P-C4'-P energy: -20.596
tors. eta vs tors. theta energy: -41.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -413.751572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.751572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.751572 (E_RNA)
where:
Base-Base interactions energy: -272.931
where: short stacking energy: -138.433
Base-Backbone interact. energy: -0.852
local terms energy: -139.968944
where:
bonds (distance) C4'-P energy: -21.102
bonds (distance) P-C4' energy: -28.547
flat angles C4'-P-C4' energy: -28.633
flat angles P-C4'-P energy: -18.714
tors. eta vs tors. theta energy: -42.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -356.860845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.860845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.860845 (E_RNA)
where:
Base-Base interactions energy: -232.117
where: short stacking energy: -119.764
Base-Backbone interact. energy: -1.874
local terms energy: -122.870502
where:
bonds (distance) C4'-P energy: -23.214
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -28.023
flat angles P-C4'-P energy: -15.757
tors. eta vs tors. theta energy: -31.542
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: 1
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -345.714045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.714045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.714045 (E_RNA)
where:
Base-Base interactions energy: -217.535
where: short stacking energy: -124.247
Base-Backbone interact. energy: -0.310
local terms energy: -127.869028
where:
bonds (distance) C4'-P energy: -22.519
bonds (distance) P-C4' energy: -24.431
flat angles C4'-P-C4' energy: -25.229
flat angles P-C4'-P energy: -19.960
tors. eta vs tors. theta energy: -35.731
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: 8
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -276.218754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.218754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.218754 (E_RNA)
where:
Base-Base interactions energy: -164.012
where: short stacking energy: -101.844
Base-Backbone interact. energy: -0.078
local terms energy: -112.128213
where:
bonds (distance) C4'-P energy: -26.901
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -25.473
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -29.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -291.698518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.698518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.698518 (E_RNA)
where:
Base-Base interactions energy: -176.666
where: short stacking energy: -101.063
Base-Backbone interact. energy: -1.160
local terms energy: -113.873392
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -27.332
flat angles C4'-P-C4' energy: -24.849
flat angles P-C4'-P energy: -20.300
tors. eta vs tors. theta energy: -25.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -244.628842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.628842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.628842 (E_RNA)
where:
Base-Base interactions energy: -145.230
where: short stacking energy: -78.086
Base-Backbone interact. energy: -0.956
local terms energy: -98.442853
where:
bonds (distance) C4'-P energy: -26.055
bonds (distance) P-C4' energy: -28.882
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -143.793632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.793632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.793632 (E_RNA)
where:
Base-Base interactions energy: -62.260
where: short stacking energy: -46.510
Base-Backbone interact. energy: -1.569
local terms energy: -79.964464
where:
bonds (distance) C4'-P energy: -23.305
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -21.140
tors. eta vs tors. theta energy: -5.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -122.790908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.790908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.790908 (E_RNA)
where:
Base-Base interactions energy: -43.724
where: short stacking energy: -39.079
Base-Backbone interact. energy: -0.910
local terms energy: -78.156831
where:
bonds (distance) C4'-P energy: -23.659
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -25.726
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: 2.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -137.389392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.389392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.389392 (E_RNA)
where:
Base-Base interactions energy: -69.221
where: short stacking energy: -49.673
Base-Backbone interact. energy: -0.264
local terms energy: -67.904553
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -26.409
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -5.480
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -419.616579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.616579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.616579 (E_RNA)
where:
Base-Base interactions energy: -279.417
where: short stacking energy: -147.657
Base-Backbone interact. energy: -0.099
local terms energy: -140.100008
where:
bonds (distance) C4'-P energy: -24.952
bonds (distance) P-C4' energy: -27.213
flat angles C4'-P-C4' energy: -25.057
flat angles P-C4'-P energy: -20.592
tors. eta vs tors. theta energy: -42.285
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: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -415.193030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.193030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.193030 (E_RNA)
where:
Base-Base interactions energy: -272.251
where: short stacking energy: -135.396
Base-Backbone interact. energy: -0.168
local terms energy: -142.773887
where:
bonds (distance) C4'-P energy: -29.455
bonds (distance) P-C4' energy: -28.177
flat angles C4'-P-C4' energy: -30.976
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -41.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -375.002700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.002700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.002700 (E_RNA)
where:
Base-Base interactions energy: -235.571
where: short stacking energy: -106.766
Base-Backbone interact. energy: -2.353
local terms energy: -137.078867
where:
bonds (distance) C4'-P energy: -27.727
bonds (distance) P-C4' energy: -26.933
flat angles C4'-P-C4' energy: -30.693
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -33.817
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: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -348.447532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.447532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.447532 (E_RNA)
where:
Base-Base interactions energy: -223.169
where: short stacking energy: -118.711
Base-Backbone interact. energy: -0.331
local terms energy: -124.946882
where:
bonds (distance) C4'-P energy: -24.707
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -20.141
tors. eta vs tors. theta energy: -34.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -286.438481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.438481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.438481 (E_RNA)
where:
Base-Base interactions energy: -165.579
where: short stacking energy: -83.828
Base-Backbone interact. energy: -0.683
local terms energy: -120.176709
where:
bonds (distance) C4'-P energy: -22.563
bonds (distance) P-C4' energy: -28.020
flat angles C4'-P-C4' energy: -28.843
flat angles P-C4'-P energy: -18.251
tors. eta vs tors. theta energy: -22.498
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: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -283.823735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.823735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.823735 (E_RNA)
where:
Base-Base interactions energy: -176.827
where: short stacking energy: -98.466
Base-Backbone interact. energy: -0.555
local terms energy: -106.441419
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -22.146
flat angles C4'-P-C4' energy: -30.048
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -20.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -252.838292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.838292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.838292 (E_RNA)
where:
Base-Base interactions energy: -144.806
where: short stacking energy: -85.224
Base-Backbone interact. energy: -0.095
local terms energy: -107.937495
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -27.413
flat angles C4'-P-C4' energy: -23.984
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -15.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -157.706892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.706892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.706892 (E_RNA)
where:
Base-Base interactions energy: -68.494
where: short stacking energy: -62.203
Base-Backbone interact. energy: 0.273
local terms energy: -89.486448
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -15.151
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: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -145.217594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.217594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.217594 (E_RNA)
where:
Base-Base interactions energy: -51.506
where: short stacking energy: -50.481
Base-Backbone interact. energy: -0.196
local terms energy: -93.515278
where:
bonds (distance) C4'-P energy: -23.094
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -26.063
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -126.501117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.501117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.501117 (E_RNA)
where:
Base-Base interactions energy: -44.583
where: short stacking energy: -41.718
Base-Backbone interact. energy: -0.560
local terms energy: -81.358789
where:
bonds (distance) C4'-P energy: -24.852
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: 0.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -415.601547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.601547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.601547 (E_RNA)
where:
Base-Base interactions energy: -272.783
where: short stacking energy: -124.023
Base-Backbone interact. energy: -0.004
local terms energy: -142.814532
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -28.982
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: -38.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -415.980425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.980425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.980425 (E_RNA)
where:
Base-Base interactions energy: -272.382
where: short stacking energy: -131.717
Base-Backbone interact. energy: -1.193
local terms energy: -142.405328
where:
bonds (distance) C4'-P energy: -26.958
bonds (distance) P-C4' energy: -24.188
flat angles C4'-P-C4' energy: -31.716
flat angles P-C4'-P energy: -19.913
tors. eta vs tors. theta energy: -39.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -373.123626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.123626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.123626 (E_RNA)
where:
Base-Base interactions energy: -235.825
where: short stacking energy: -124.239
Base-Backbone interact. energy: -1.758
local terms energy: -135.540658
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -27.780
flat angles C4'-P-C4' energy: -29.296
flat angles P-C4'-P energy: -18.606
tors. eta vs tors. theta energy: -36.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -307.330437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.330437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.330437 (E_RNA)
where:
Base-Base interactions energy: -192.574
where: short stacking energy: -99.892
Base-Backbone interact. energy: -1.352
local terms energy: -113.404015
where:
bonds (distance) C4'-P energy: -27.264
bonds (distance) P-C4' energy: -27.021
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -21.027
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: 1
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -331.253247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.253247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.253247 (E_RNA)
where:
Base-Base interactions energy: -211.385
where: short stacking energy: -113.986
Base-Backbone interact. energy: -0.454
local terms energy: -119.414705
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -25.048
flat angles P-C4'-P energy: -21.564
tors. eta vs tors. theta energy: -33.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -280.622271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.622271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.622271 (E_RNA)
where:
Base-Base interactions energy: -173.332
where: short stacking energy: -99.673
Base-Backbone interact. energy: -0.395
local terms energy: -106.895508
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -21.112
flat angles C4'-P-C4' energy: -27.795
flat angles P-C4'-P energy: -16.096
tors. eta vs tors. theta energy: -23.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -232.737225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.737225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.737225 (E_RNA)
where:
Base-Base interactions energy: -136.546
where: short stacking energy: -84.759
Base-Backbone interact. energy: -1.035
local terms energy: -95.157123
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -26.022
flat angles P-C4'-P energy: -21.954
tors. eta vs tors. theta energy: -13.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -155.596666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.596666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.596666 (E_RNA)
where:
Base-Base interactions energy: -64.276
where: short stacking energy: -63.881
Base-Backbone interact. energy: 1.921
local terms energy: -93.241428
where:
bonds (distance) C4'-P energy: -27.129
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -22.826
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -5.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -131.727213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.727213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.727213 (E_RNA)
where:
Base-Base interactions energy: -49.863
where: short stacking energy: -43.848
Base-Backbone interact. energy: -0.105
local terms energy: -81.758903
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -26.651
flat angles C4'-P-C4' energy: -24.427
flat angles P-C4'-P energy: -4.862
tors. eta vs tors. theta energy: -10.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -135.655833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.655833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.655833 (E_RNA)
where:
Base-Base interactions energy: -45.935
where: short stacking energy: -39.702
Base-Backbone interact. energy: 0.744
local terms energy: -90.464685
where:
bonds (distance) C4'-P energy: -26.131
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -19.556
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -413.987486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.987486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.987486 (E_RNA)
where:
Base-Base interactions energy: -277.248
where: short stacking energy: -135.262
Base-Backbone interact. energy: -0.295
local terms energy: -136.444655
where:
bonds (distance) C4'-P energy: -24.330
bonds (distance) P-C4' energy: -26.124
flat angles C4'-P-C4' energy: -27.269
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -40.575
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: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -398.896983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.896983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.896983 (E_RNA)
where:
Base-Base interactions energy: -272.220
where: short stacking energy: -129.947
Base-Backbone interact. energy: -1.435
local terms energy: -125.241556
where:
bonds (distance) C4'-P energy: -19.231
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -27.741
flat angles P-C4'-P energy: -17.426
tors. eta vs tors. theta energy: -36.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -371.008262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.008262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.008262 (E_RNA)
where:
Base-Base interactions energy: -242.721
where: short stacking energy: -112.059
Base-Backbone interact. energy: -1.177
local terms energy: -127.110812
where:
bonds (distance) C4'-P energy: -24.689
bonds (distance) P-C4' energy: -22.745
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -23.235
tors. eta vs tors. theta energy: -34.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -312.092312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.092312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.092312 (E_RNA)
where:
Base-Base interactions energy: -193.705
where: short stacking energy: -115.205
Base-Backbone interact. energy: 0.569
local terms energy: -118.957091
where:
bonds (distance) C4'-P energy: -9.171
bonds (distance) P-C4' energy: -27.416
flat angles C4'-P-C4' energy: -30.606
flat angles P-C4'-P energy: -21.744
tors. eta vs tors. theta energy: -30.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -323.201063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.201063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.201063 (E_RNA)
where:
Base-Base interactions energy: -210.087
where: short stacking energy: -113.809
Base-Backbone interact. energy: -0.384
local terms energy: -112.729837
where:
bonds (distance) C4'-P energy: -22.846
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -24.526
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -36.200
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: 274
Temperature: 1.150000
Total energy: -277.341588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.341588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.341588 (E_RNA)
where:
Base-Base interactions energy: -166.950
where: short stacking energy: -88.754
Base-Backbone interact. energy: -1.756
local terms energy: -108.635978
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: -24.268
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: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -223.309905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.309905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.309905 (E_RNA)
where:
Base-Base interactions energy: -124.219
where: short stacking energy: -70.866
Base-Backbone interact. energy: 1.285
local terms energy: -100.375281
where:
bonds (distance) C4'-P energy: -19.193
bonds (distance) P-C4' energy: -24.333
flat angles C4'-P-C4' energy: -26.015
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -14.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -159.591609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.591609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.591609 (E_RNA)
where:
Base-Base interactions energy: -64.963
where: short stacking energy: -64.607
Base-Backbone interact. energy: -0.127
local terms energy: -94.501498
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -11.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -135.779543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.779543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.779543 (E_RNA)
where:
Base-Base interactions energy: -53.502
where: short stacking energy: -49.431
Base-Backbone interact. energy: -0.161
local terms energy: -82.116278
where:
bonds (distance) C4'-P energy: -25.897
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -3.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -125.590239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.590239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.590239 (E_RNA)
where:
Base-Base interactions energy: -39.848
where: short stacking energy: -38.677
Base-Backbone interact. energy: -0.344
local terms energy: -85.398558
where:
bonds (distance) C4'-P energy: -21.388
bonds (distance) P-C4' energy: -26.128
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -11.555
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -412.633539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.633539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.633539 (E_RNA)
where:
Base-Base interactions energy: -271.903
where: short stacking energy: -133.082
Base-Backbone interact. energy: -1.221
local terms energy: -139.509016
where:
bonds (distance) C4'-P energy: -26.857
bonds (distance) P-C4' energy: -26.585
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -16.269
tors. eta vs tors. theta energy: -39.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -393.348540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.348540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.348540 (E_RNA)
where:
Base-Base interactions energy: -253.618
where: short stacking energy: -113.744
Base-Backbone interact. energy: -0.622
local terms energy: -139.108954
where:
bonds (distance) C4'-P energy: -27.659
bonds (distance) P-C4' energy: -28.543
flat angles C4'-P-C4' energy: -27.631
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -36.662
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: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -389.287831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.287831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.287831 (E_RNA)
where:
Base-Base interactions energy: -260.013
where: short stacking energy: -127.405
Base-Backbone interact. energy: -0.885
local terms energy: -128.390032
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -28.836
flat angles C4'-P-C4' energy: -24.066
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: -40.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -316.781307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.781307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.781307 (E_RNA)
where:
Base-Base interactions energy: -191.998
where: short stacking energy: -113.593
Base-Backbone interact. energy: -0.496
local terms energy: -124.287548
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -28.791
flat angles C4'-P-C4' energy: -24.664
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -31.030
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: 5, replica: 1
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -333.100002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.100002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.100002 (E_RNA)
where:
Base-Base interactions energy: -210.226
where: short stacking energy: -112.962
Base-Backbone interact. energy: -0.949
local terms energy: -121.924791
where:
bonds (distance) C4'-P energy: -24.569
bonds (distance) P-C4' energy: -23.051
flat angles C4'-P-C4' energy: -25.546
flat angles P-C4'-P energy: -16.349
tors. eta vs tors. theta energy: -32.410
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: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -287.339662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.339662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.339662 (E_RNA)
where:
Base-Base interactions energy: -172.848
where: short stacking energy: -101.349
Base-Backbone interact. energy: -0.283
local terms energy: -114.209187
where:
bonds (distance) C4'-P energy: -25.677
bonds (distance) P-C4' energy: -28.068
flat angles C4'-P-C4' energy: -22.690
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -23.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -232.325230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.325230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.325230 (E_RNA)
where:
Base-Base interactions energy: -128.015
where: short stacking energy: -76.124
Base-Backbone interact. energy: -0.665
local terms energy: -103.644807
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -161.908565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.908565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.908565 (E_RNA)
where:
Base-Base interactions energy: -64.189
where: short stacking energy: -42.340
Base-Backbone interact. energy: -1.105
local terms energy: -96.614872
where:
bonds (distance) C4'-P energy: -21.103
bonds (distance) P-C4' energy: -29.781
flat angles C4'-P-C4' energy: -25.338
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -6.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -144.678509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.678509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.678509 (E_RNA)
where:
Base-Base interactions energy: -72.839
where: short stacking energy: -57.070
Base-Backbone interact. energy: 0.698
local terms energy: -72.537521
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -23.307
flat angles C4'-P-C4' energy: -7.976
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -7.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -120.560388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.560388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.560388 (E_RNA)
where:
Base-Base interactions energy: -51.677
where: short stacking energy: -42.051
Base-Backbone interact. energy: 0.251
local terms energy: -69.135045
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -28.338
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -1.104
tors. eta vs tors. theta energy: -4.224
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -418.479094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.479094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.479094 (E_RNA)
where:
Base-Base interactions energy: -273.495
where: short stacking energy: -130.302
Base-Backbone interact. energy: -1.068
local terms energy: -143.916654
where:
bonds (distance) C4'-P energy: -23.913
bonds (distance) P-C4' energy: -27.143
flat angles C4'-P-C4' energy: -28.788
flat angles P-C4'-P energy: -25.540
tors. eta vs tors. theta energy: -38.532
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: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -391.332700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.332700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.332700 (E_RNA)
where:
Base-Base interactions energy: -257.632
where: short stacking energy: -125.277
Base-Backbone interact. energy: -1.886
local terms energy: -131.815496
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -25.680
flat angles C4'-P-C4' energy: -28.834
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -37.200
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: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -384.658905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.658905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.658905 (E_RNA)
where:
Base-Base interactions energy: -251.996
where: short stacking energy: -120.861
Base-Backbone interact. energy: -0.894
local terms energy: -131.769053
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -27.104
flat angles C4'-P-C4' energy: -26.578
flat angles P-C4'-P energy: -23.451
tors. eta vs tors. theta energy: -37.044
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: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -312.663481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.663481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.663481 (E_RNA)
where:
Base-Base interactions energy: -191.761
where: short stacking energy: -120.080
Base-Backbone interact. energy: -1.436
local terms energy: -119.466343
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -28.695
flat angles C4'-P-C4' energy: -24.604
flat angles P-C4'-P energy: -17.291
tors. eta vs tors. theta energy: -25.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -336.845019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.845019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.845019 (E_RNA)
where:
Base-Base interactions energy: -212.148
where: short stacking energy: -107.029
Base-Backbone interact. energy: -0.814
local terms energy: -123.883251
where:
bonds (distance) C4'-P energy: -26.584
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -33.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -278.404194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.404194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.404194 (E_RNA)
where:
Base-Base interactions energy: -162.153
where: short stacking energy: -98.749
Base-Backbone interact. energy: -1.136
local terms energy: -115.114793
where:
bonds (distance) C4'-P energy: -25.117
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -22.004
flat angles P-C4'-P energy: -21.010
tors. eta vs tors. theta energy: -23.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -247.784974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.784974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.784974 (E_RNA)
where:
Base-Base interactions energy: -152.747
where: short stacking energy: -79.668
Base-Backbone interact. energy: 0.075
local terms energy: -95.112788
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -26.977
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -12.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -197.623269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.623269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.623269 (E_RNA)
where:
Base-Base interactions energy: -99.146
where: short stacking energy: -88.942
Base-Backbone interact. energy: -0.006
local terms energy: -98.471330
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -22.945
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -22.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -149.637843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.637843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.637843 (E_RNA)
where:
Base-Base interactions energy: -54.098
where: short stacking energy: -53.203
Base-Backbone interact. energy: -0.486
local terms energy: -95.053875
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -26.845
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -9.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -132.674605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.674605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.674605 (E_RNA)
where:
Base-Base interactions energy: -53.979
where: short stacking energy: -42.210
Base-Backbone interact. energy: -2.400
local terms energy: -76.295816
where:
bonds (distance) C4'-P energy: -24.877
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -10.732
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -3.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -422.545298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.545298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.545298 (E_RNA)
where:
Base-Base interactions energy: -284.258
where: short stacking energy: -133.246
Base-Backbone interact. energy: -0.003
local terms energy: -138.284729
where:
bonds (distance) C4'-P energy: -21.984
bonds (distance) P-C4' energy: -28.088
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -24.407
tors. eta vs tors. theta energy: -41.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -393.477073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.477073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.477073 (E_RNA)
where:
Base-Base interactions energy: -262.976
where: short stacking energy: -126.209
Base-Backbone interact. energy: -2.092
local terms energy: -128.409050
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -26.272
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -13.835
tors. eta vs tors. theta energy: -38.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -394.378713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.378713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.378713 (E_RNA)
where:
Base-Base interactions energy: -269.923
where: short stacking energy: -121.645
Base-Backbone interact. energy: -1.517
local terms energy: -122.938297
where:
bonds (distance) C4'-P energy: -26.709
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -28.047
flat angles P-C4'-P energy: -19.442
tors. eta vs tors. theta energy: -32.559
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: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -320.465010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.465010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.465010 (E_RNA)
where:
Base-Base interactions energy: -194.997
where: short stacking energy: -115.375
Base-Backbone interact. energy: -0.051
local terms energy: -125.416278
where:
bonds (distance) C4'-P energy: -25.692
bonds (distance) P-C4' energy: -29.602
flat angles C4'-P-C4' energy: -25.830
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -29.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -329.524338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.524338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.524338 (E_RNA)
where:
Base-Base interactions energy: -206.184
where: short stacking energy: -111.921
Base-Backbone interact. energy: 0.230
local terms energy: -123.569941
where:
bonds (distance) C4'-P energy: -25.031
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -27.438
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -32.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -272.259903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.259903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.259903 (E_RNA)
where:
Base-Base interactions energy: -167.468
where: short stacking energy: -80.153
Base-Backbone interact. energy: 2.034
local terms energy: -106.825844
where:
bonds (distance) C4'-P energy: -23.193
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -23.706
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -260.678359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.678359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.678359 (E_RNA)
where:
Base-Base interactions energy: -156.184
where: short stacking energy: -99.818
Base-Backbone interact. energy: 0.156
local terms energy: -104.650841
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -25.525
flat angles C4'-P-C4' energy: -24.376
flat angles P-C4'-P energy: -15.474
tors. eta vs tors. theta energy: -22.435
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: 277
Temperature: 1.250000
Total energy: -172.913845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.913845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.913845 (E_RNA)
where:
Base-Base interactions energy: -83.646
where: short stacking energy: -63.570
Base-Backbone interact. energy: 0.939
local terms energy: -90.207207
where:
bonds (distance) C4'-P energy: -22.646
bonds (distance) P-C4' energy: -19.802
flat angles C4'-P-C4' energy: -27.290
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -132.471269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.471269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.471269 (E_RNA)
where:
Base-Base interactions energy: -50.252
where: short stacking energy: -48.094
Base-Backbone interact. energy: -1.376
local terms energy: -80.843845
where:
bonds (distance) C4'-P energy: -24.161
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -5.079
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: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -145.355011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.355011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.355011 (E_RNA)
where:
Base-Base interactions energy: -54.658
where: short stacking energy: -46.669
Base-Backbone interact. energy: -0.139
local terms energy: -90.557392
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -21.927
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -432.334952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.334952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.334952 (E_RNA)
where:
Base-Base interactions energy: -281.989
where: short stacking energy: -141.886
Base-Backbone interact. energy: -0.594
local terms energy: -149.751784
where:
bonds (distance) C4'-P energy: -29.944
bonds (distance) P-C4' energy: -29.069
flat angles C4'-P-C4' energy: -31.141
flat angles P-C4'-P energy: -16.067
tors. eta vs tors. theta energy: -43.531
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: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -388.163900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.163900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.163900 (E_RNA)
where:
Base-Base interactions energy: -257.944
where: short stacking energy: -122.616
Base-Backbone interact. energy: 0.844
local terms energy: -131.063219
where:
bonds (distance) C4'-P energy: -22.685
bonds (distance) P-C4' energy: -27.986
flat angles C4'-P-C4' energy: -26.554
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -34.475
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: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -374.425239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.425239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.425239 (E_RNA)
where:
Base-Base interactions energy: -244.254
where: short stacking energy: -125.198
Base-Backbone interact. energy: -2.739
local terms energy: -127.432333
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -27.999
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -31.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -295.231878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.231878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.231878 (E_RNA)
where:
Base-Base interactions energy: -178.315
where: short stacking energy: -103.053
Base-Backbone interact. energy: -0.776
local terms energy: -116.141581
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -23.435
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -27.806
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: 278
Temperature: 1.100000
Total energy: -330.145321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.145321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.145321 (E_RNA)
where:
Base-Base interactions energy: -206.984
where: short stacking energy: -108.888
Base-Backbone interact. energy: -0.057
local terms energy: -123.104386
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -24.863
flat angles C4'-P-C4' energy: -28.343
flat angles P-C4'-P energy: -18.799
tors. eta vs tors. theta energy: -29.368
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: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -281.408656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.408656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.408656 (E_RNA)
where:
Base-Base interactions energy: -164.355
where: short stacking energy: -88.258
Base-Backbone interact. energy: -0.256
local terms energy: -116.797654
where:
bonds (distance) C4'-P energy: -26.274
bonds (distance) P-C4' energy: -27.202
flat angles C4'-P-C4' energy: -26.565
flat angles P-C4'-P energy: -18.106
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -244.180502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.180502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.180502 (E_RNA)
where:
Base-Base interactions energy: -144.350
where: short stacking energy: -77.008
Base-Backbone interact. energy: -0.990
local terms energy: -98.840077
where:
bonds (distance) C4'-P energy: -18.204
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -26.588
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -13.797
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: 10
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -166.553197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.553197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.553197 (E_RNA)
where:
Base-Base interactions energy: -72.503
where: short stacking energy: -47.975
Base-Backbone interact. energy: -0.070
local terms energy: -93.979720
where:
bonds (distance) C4'-P energy: -26.061
bonds (distance) P-C4' energy: -28.832
flat angles C4'-P-C4' energy: -26.359
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -147.010080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.010080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.010080 (E_RNA)
where:
Base-Base interactions energy: -56.962
where: short stacking energy: -54.432
Base-Backbone interact. energy: -0.570
local terms energy: -89.477551
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -26.253
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -125.932892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.932892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.932892 (E_RNA)
where:
Base-Base interactions energy: -45.408
where: short stacking energy: -45.126
Base-Backbone interact. energy: -0.478
local terms energy: -80.046749
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -22.471
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -14.261
tors. eta vs tors. theta energy: -9.023
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -420.446262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.446262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.446262 (E_RNA)
where:
Base-Base interactions energy: -276.355
where: short stacking energy: -136.417
Base-Backbone interact. energy: -0.013
local terms energy: -144.077988
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -25.109
flat angles C4'-P-C4' energy: -29.577
flat angles P-C4'-P energy: -17.871
tors. eta vs tors. theta energy: -39.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -396.852926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.852926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.852926 (E_RNA)
where:
Base-Base interactions energy: -249.711
where: short stacking energy: -129.593
Base-Backbone interact. energy: -0.185
local terms energy: -146.956610
where:
bonds (distance) C4'-P energy: -29.341
bonds (distance) P-C4' energy: -25.632
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -21.841
tors. eta vs tors. theta energy: -39.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -378.766308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.766308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.766308 (E_RNA)
where:
Base-Base interactions energy: -250.580
where: short stacking energy: -118.341
Base-Backbone interact. energy: -1.433
local terms energy: -126.753999
where:
bonds (distance) C4'-P energy: -24.187
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -26.632
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -32.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -334.729288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.729288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.729288 (E_RNA)
where:
Base-Base interactions energy: -216.044
where: short stacking energy: -119.900
Base-Backbone interact. energy: -0.122
local terms energy: -118.562789
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -25.535
flat angles P-C4'-P energy: -21.196
tors. eta vs tors. theta energy: -29.341
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: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -294.709677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.709677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.709677 (E_RNA)
where:
Base-Base interactions energy: -185.071
where: short stacking energy: -107.576
Base-Backbone interact. energy: -0.007
local terms energy: -109.631617
where:
bonds (distance) C4'-P energy: -23.154
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -23.339
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -26.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -296.889113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.889113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.889113 (E_RNA)
where:
Base-Base interactions energy: -193.839
where: short stacking energy: -112.955
Base-Backbone interact. energy: -0.507
local terms energy: -102.543020
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -27.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -235.284600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.284600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.284600 (E_RNA)
where:
Base-Base interactions energy: -139.974
where: short stacking energy: -88.402
Base-Backbone interact. energy: -0.566
local terms energy: -94.744793
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -28.688
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -13.770
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: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -147.238450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.238450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.238450 (E_RNA)
where:
Base-Base interactions energy: -54.556
where: short stacking energy: -54.556
Base-Backbone interact. energy: 0.425
local terms energy: -93.108038
where:
bonds (distance) C4'-P energy: -28.688
bonds (distance) P-C4' energy: -24.918
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -7.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -155.625037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.625037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.625037 (E_RNA)
where:
Base-Base interactions energy: -77.860
where: short stacking energy: -52.969
Base-Backbone interact. energy: 1.955
local terms energy: -79.720051
where:
bonds (distance) C4'-P energy: -23.791
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -6.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -128.785667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.785667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.785667 (E_RNA)
where:
Base-Base interactions energy: -56.433
where: short stacking energy: -46.875
Base-Backbone interact. energy: -0.304
local terms energy: -72.048905
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -17.575
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -394.644438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.644438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.644438 (E_RNA)
where:
Base-Base interactions energy: -255.742
where: short stacking energy: -118.507
Base-Backbone interact. energy: -0.759
local terms energy: -138.143882
where:
bonds (distance) C4'-P energy: -25.098
bonds (distance) P-C4' energy: -26.707
flat angles C4'-P-C4' energy: -32.298
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -38.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -421.296599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.296599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.296599 (E_RNA)
where:
Base-Base interactions energy: -274.608
where: short stacking energy: -131.592
Base-Backbone interact. energy: -0.772
local terms energy: -145.916983
where:
bonds (distance) C4'-P energy: -25.249
bonds (distance) P-C4' energy: -30.323
flat angles C4'-P-C4' energy: -27.828
flat angles P-C4'-P energy: -20.628
tors. eta vs tors. theta energy: -41.889
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: 4
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -384.014113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.014113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.014113 (E_RNA)
where:
Base-Base interactions energy: -260.332
where: short stacking energy: -121.144
Base-Backbone interact. energy: -0.574
local terms energy: -123.108007
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -24.800
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -35.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -364.819946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.819946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.819946 (E_RNA)
where:
Base-Base interactions energy: -234.318
where: short stacking energy: -125.585
Base-Backbone interact. energy: -0.724
local terms energy: -129.777812
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -28.669
flat angles C4'-P-C4' energy: -25.665
flat angles P-C4'-P energy: -18.176
tors. eta vs tors. theta energy: -35.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -294.148514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.148514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.148514 (E_RNA)
where:
Base-Base interactions energy: -186.229
where: short stacking energy: -101.316
Base-Backbone interact. energy: -0.193
local terms energy: -107.727111
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -26.963
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: -23.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -294.342873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.342873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.342873 (E_RNA)
where:
Base-Base interactions energy: -185.806
where: short stacking energy: -97.772
Base-Backbone interact. energy: -0.798
local terms energy: -107.739344
where:
bonds (distance) C4'-P energy: -23.075
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -26.454
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -236.859022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.859022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.859022 (E_RNA)
where:
Base-Base interactions energy: -144.277
where: short stacking energy: -74.646
Base-Backbone interact. energy: -0.008
local terms energy: -92.574133
where:
bonds (distance) C4'-P energy: -19.306
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -12.485
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: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -152.986275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.986275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.986275 (E_RNA)
where:
Base-Base interactions energy: -70.361
where: short stacking energy: -53.336
Base-Backbone interact. energy: -0.167
local terms energy: -82.458370
where:
bonds (distance) C4'-P energy: -25.743
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -9.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -138.277354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.277354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.277354 (E_RNA)
where:
Base-Base interactions energy: -44.865
where: short stacking energy: -45.265
Base-Backbone interact. energy: 0.866
local terms energy: -94.278507
where:
bonds (distance) C4'-P energy: -26.282
bonds (distance) P-C4' energy: -25.737
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -7.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -119.152412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.152412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.152412 (E_RNA)
where:
Base-Base interactions energy: -28.860
where: short stacking energy: -27.392
Base-Backbone interact. energy: -0.487
local terms energy: -89.805217
where:
bonds (distance) C4'-P energy: -24.422
bonds (distance) P-C4' energy: -26.325
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -4.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -402.943355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.943355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.943355 (E_RNA)
where:
Base-Base interactions energy: -263.624
where: short stacking energy: -130.631
Base-Backbone interact. energy: -0.808
local terms energy: -138.511647
where:
bonds (distance) C4'-P energy: -27.690
bonds (distance) P-C4' energy: -28.034
flat angles C4'-P-C4' energy: -28.072
flat angles P-C4'-P energy: -17.228
tors. eta vs tors. theta energy: -37.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -420.338186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.338186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.338186 (E_RNA)
where:
Base-Base interactions energy: -279.208
where: short stacking energy: -143.656
Base-Backbone interact. energy: -0.708
local terms energy: -140.421880
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -26.657
flat angles C4'-P-C4' energy: -31.237
flat angles P-C4'-P energy: -18.860
tors. eta vs tors. theta energy: -41.999
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: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -404.965822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.965822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.965822 (E_RNA)
where:
Base-Base interactions energy: -273.012
where: short stacking energy: -133.222
Base-Backbone interact. energy: 0.013
local terms energy: -131.967210
where:
bonds (distance) C4'-P energy: -23.788
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -29.777
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -39.927
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: 4, replica: 1
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -358.504556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.504556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.504556 (E_RNA)
where:
Base-Base interactions energy: -222.024
where: short stacking energy: -126.406
Base-Backbone interact. energy: -0.131
local terms energy: -136.350166
where:
bonds (distance) C4'-P energy: -27.044
bonds (distance) P-C4' energy: -27.452
flat angles C4'-P-C4' energy: -27.573
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -39.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -303.938282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.938282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.938282 (E_RNA)
where:
Base-Base interactions energy: -191.446
where: short stacking energy: -105.813
Base-Backbone interact. energy: -0.811
local terms energy: -111.680613
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -27.638
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -19.852
tors. eta vs tors. theta energy: -27.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -285.935620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.935620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.935620 (E_RNA)
where:
Base-Base interactions energy: -179.024
where: short stacking energy: -91.877
Base-Backbone interact. energy: -0.586
local terms energy: -106.326104
where:
bonds (distance) C4'-P energy: -26.833
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -26.970
flat angles P-C4'-P energy: -15.831
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -232.917042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.917042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.917042 (E_RNA)
where:
Base-Base interactions energy: -140.458
where: short stacking energy: -79.238
Base-Backbone interact. energy: -0.183
local terms energy: -92.275429
where:
bonds (distance) C4'-P energy: -24.932
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -145.672595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.672595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.672595 (E_RNA)
where:
Base-Base interactions energy: -56.221
where: short stacking energy: -56.221
Base-Backbone interact. energy: -1.190
local terms energy: -88.261063
where:
bonds (distance) C4'-P energy: -22.192
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -3.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -140.712549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.712549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.712549 (E_RNA)
where:
Base-Base interactions energy: -64.350
where: short stacking energy: -46.582
Base-Backbone interact. energy: -0.288
local terms energy: -76.074129
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -24.475
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -15.646
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: 10, replica: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -134.519449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.519449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.519449 (E_RNA)
where:
Base-Base interactions energy: -44.315
where: short stacking energy: -41.336
Base-Backbone interact. energy: -0.493
local terms energy: -89.711824
where:
bonds (distance) C4'-P energy: -24.970
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -27.161
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -0.409
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -429.592195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.592195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.592195 (E_RNA)
where:
Base-Base interactions energy: -287.225
where: short stacking energy: -144.371
Base-Backbone interact. energy: 1.870
local terms energy: -144.236783
where:
bonds (distance) C4'-P energy: -25.097
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -29.405
flat angles P-C4'-P energy: -22.039
tors. eta vs tors. theta energy: -41.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -390.521277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.521277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.521277 (E_RNA)
where:
Base-Base interactions energy: -254.925
where: short stacking energy: -128.095
Base-Backbone interact. energy: -0.224
local terms energy: -135.372714
where:
bonds (distance) C4'-P energy: -27.640
bonds (distance) P-C4' energy: -27.468
flat angles C4'-P-C4' energy: -29.671
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -35.906
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: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -416.579751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.579751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.579751 (E_RNA)
where:
Base-Base interactions energy: -281.174
where: short stacking energy: -136.014
Base-Backbone interact. energy: -1.119
local terms energy: -134.286589
where:
bonds (distance) C4'-P energy: -22.171
bonds (distance) P-C4' energy: -28.974
flat angles C4'-P-C4' energy: -27.836
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -40.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -340.634589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.634589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.634589 (E_RNA)
where:
Base-Base interactions energy: -216.597
where: short stacking energy: -122.287
Base-Backbone interact. energy: -0.054
local terms energy: -123.983134
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -27.875
flat angles C4'-P-C4' energy: -25.845
flat angles P-C4'-P energy: -19.198
tors. eta vs tors. theta energy: -30.365
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: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -290.099268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.099268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.099268 (E_RNA)
where:
Base-Base interactions energy: -173.378
where: short stacking energy: -89.545
Base-Backbone interact. energy: -1.136
local terms energy: -115.585150
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -29.022
flat angles C4'-P-C4' energy: -26.067
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -24.506
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: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -283.167086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.167086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.167086 (E_RNA)
where:
Base-Base interactions energy: -157.976
where: short stacking energy: -88.203
Base-Backbone interact. energy: -0.290
local terms energy: -124.900127
where:
bonds (distance) C4'-P energy: -27.253
bonds (distance) P-C4' energy: -29.174
flat angles C4'-P-C4' energy: -26.239
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -25.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -255.476383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.476383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.476383 (E_RNA)
where:
Base-Base interactions energy: -150.356
where: short stacking energy: -82.700
Base-Backbone interact. energy: -0.435
local terms energy: -104.685011
where:
bonds (distance) C4'-P energy: -24.447
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -23.612
flat angles P-C4'-P energy: -14.246
tors. eta vs tors. theta energy: -22.800
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: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -152.831502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.831502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.831502 (E_RNA)
where:
Base-Base interactions energy: -59.899
where: short stacking energy: -59.575
Base-Backbone interact. energy: -0.229
local terms energy: -92.703175
where:
bonds (distance) C4'-P energy: -25.441
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -9.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -122.954176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.954176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.954176 (E_RNA)
where:
Base-Base interactions energy: -47.986
where: short stacking energy: -47.124
Base-Backbone interact. energy: -0.528
local terms energy: -74.440643
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -25.841
flat angles C4'-P-C4' energy: -24.860
flat angles P-C4'-P energy: -5.818
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: 10, replica: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -131.135945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.135945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.135945 (E_RNA)
where:
Base-Base interactions energy: -64.040
where: short stacking energy: -39.028
Base-Backbone interact. energy: -0.420
local terms energy: -66.676284
where:
bonds (distance) C4'-P energy: -22.871
bonds (distance) P-C4' energy: -23.945
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -6.193
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -423.462903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.462903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.462903 (E_RNA)
where:
Base-Base interactions energy: -277.059
where: short stacking energy: -143.595
Base-Backbone interact. energy: -0.156
local terms energy: -146.247934
where:
bonds (distance) C4'-P energy: -27.645
bonds (distance) P-C4' energy: -26.389
flat angles C4'-P-C4' energy: -29.312
flat angles P-C4'-P energy: -20.783
tors. eta vs tors. theta energy: -42.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -410.032600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.032600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.032600 (E_RNA)
where:
Base-Base interactions energy: -277.664
where: short stacking energy: -132.374
Base-Backbone interact. energy: -1.284
local terms energy: -131.083824
where:
bonds (distance) C4'-P energy: -24.758
bonds (distance) P-C4' energy: -27.037
flat angles C4'-P-C4' energy: -24.825
flat angles P-C4'-P energy: -18.810
tors. eta vs tors. theta energy: -35.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -382.177125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.177125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.177125 (E_RNA)
where:
Base-Base interactions energy: -251.473
where: short stacking energy: -120.805
Base-Backbone interact. energy: 1.664
local terms energy: -132.369015
where:
bonds (distance) C4'-P energy: -26.869
bonds (distance) P-C4' energy: -24.992
flat angles C4'-P-C4' energy: -25.726
flat angles P-C4'-P energy: -19.778
tors. eta vs tors. theta energy: -35.004
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: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -330.031609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.031609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.031609 (E_RNA)
where:
Base-Base interactions energy: -207.741
where: short stacking energy: -120.607
Base-Backbone interact. energy: -0.169
local terms energy: -122.121643
where:
bonds (distance) C4'-P energy: -21.042
bonds (distance) P-C4' energy: -27.677
flat angles C4'-P-C4' energy: -25.522
flat angles P-C4'-P energy: -21.193
tors. eta vs tors. theta energy: -26.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -318.285901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.285901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.285901 (E_RNA)
where:
Base-Base interactions energy: -189.111
where: short stacking energy: -107.940
Base-Backbone interact. energy: -1.123
local terms energy: -128.051949
where:
bonds (distance) C4'-P energy: -27.369
bonds (distance) P-C4' energy: -24.845
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -18.461
tors. eta vs tors. theta energy: -28.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -241.772341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.772341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.772341 (E_RNA)
where:
Base-Base interactions energy: -144.197
where: short stacking energy: -77.229
Base-Backbone interact. energy: 0.885
local terms energy: -98.460369
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -23.398
flat angles C4'-P-C4' energy: -23.301
flat angles P-C4'-P energy: -13.499
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: 7, replica: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -283.892242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.892242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.892242 (E_RNA)
where:
Base-Base interactions energy: -175.927
where: short stacking energy: -98.798
Base-Backbone interact. energy: -0.789
local terms energy: -107.176789
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -28.502
flat angles C4'-P-C4' energy: -22.977
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -24.430
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: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -148.191440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.191440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.191440 (E_RNA)
where:
Base-Base interactions energy: -58.818
where: short stacking energy: -58.818
Base-Backbone interact. energy: -1.156
local terms energy: -88.217899
where:
bonds (distance) C4'-P energy: -26.774
bonds (distance) P-C4' energy: -27.079
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -3.893
tors. eta vs tors. theta energy: -8.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -137.290839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.290839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.290839 (E_RNA)
where:
Base-Base interactions energy: -53.595
where: short stacking energy: -51.753
Base-Backbone interact. energy: -0.243
local terms energy: -83.452222
where:
bonds (distance) C4'-P energy: -25.011
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -22.845
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -125.713085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.713085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.713085 (E_RNA)
where:
Base-Base interactions energy: -50.400
where: short stacking energy: -40.218
Base-Backbone interact. energy: 0.354
local terms energy: -75.666852
where:
bonds (distance) C4'-P energy: -21.029
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -3.506
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -421.978743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.978743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.978743 (E_RNA)
where:
Base-Base interactions energy: -285.972
where: short stacking energy: -137.271
Base-Backbone interact. energy: -0.631
local terms energy: -135.375629
where:
bonds (distance) C4'-P energy: -27.581
bonds (distance) P-C4' energy: -24.468
flat angles C4'-P-C4' energy: -28.312
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -40.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -414.394141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.394141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.394141 (E_RNA)
where:
Base-Base interactions energy: -277.621
where: short stacking energy: -129.174
Base-Backbone interact. energy: -0.075
local terms energy: -136.698757
where:
bonds (distance) C4'-P energy: -23.540
bonds (distance) P-C4' energy: -25.280
flat angles C4'-P-C4' energy: -27.338
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -39.010
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: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -352.392351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.392351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.392351 (E_RNA)
where:
Base-Base interactions energy: -226.510
where: short stacking energy: -124.218
Base-Backbone interact. energy: -3.640
local terms energy: -122.242711
where:
bonds (distance) C4'-P energy: -22.167
bonds (distance) P-C4' energy: -27.054
flat angles C4'-P-C4' energy: -26.210
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -29.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -361.101790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.101790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.101790 (E_RNA)
where:
Base-Base interactions energy: -241.426
where: short stacking energy: -110.820
Base-Backbone interact. energy: -0.712
local terms energy: -118.963604
where:
bonds (distance) C4'-P energy: -26.310
bonds (distance) P-C4' energy: -20.400
flat angles C4'-P-C4' energy: -29.835
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: -26.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -267.160971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.160971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.160971 (E_RNA)
where:
Base-Base interactions energy: -160.213
where: short stacking energy: -78.770
Base-Backbone interact. energy: 0.400
local terms energy: -107.347585
where:
bonds (distance) C4'-P energy: -25.122
bonds (distance) P-C4' energy: -27.081
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -15.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -268.410091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.410091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.410091 (E_RNA)
where:
Base-Base interactions energy: -173.116
where: short stacking energy: -92.951
Base-Backbone interact. energy: -0.038
local terms energy: -95.256880
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -22.907
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -23.058
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: 284
Temperature: 1.200000
Total energy: -264.252664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.252664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.252664 (E_RNA)
where:
Base-Base interactions energy: -158.814
where: short stacking energy: -80.878
Base-Backbone interact. energy: -0.274
local terms energy: -105.164746
where:
bonds (distance) C4'-P energy: -19.719
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -22.629
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -22.652
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: 284
Temperature: 1.250000
Total energy: -146.164406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.164406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.164406 (E_RNA)
where:
Base-Base interactions energy: -56.629
where: short stacking energy: -48.323
Base-Backbone interact. energy: -2.152
local terms energy: -87.383636
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -26.895
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -11.837
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: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -143.104039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.104039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.104039 (E_RNA)
where:
Base-Base interactions energy: -52.100
where: short stacking energy: -49.178
Base-Backbone interact. energy: 0.823
local terms energy: -91.826790
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -26.540
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -3.265
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: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -149.754096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.754096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.754096 (E_RNA)
where:
Base-Base interactions energy: -79.467
where: short stacking energy: -48.077
Base-Backbone interact. energy: 0.737
local terms energy: -71.024054
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -26.270
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -427.850025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.850025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.850025 (E_RNA)
where:
Base-Base interactions energy: -275.166
where: short stacking energy: -137.906
Base-Backbone interact. energy: -0.001
local terms energy: -152.683877
where:
bonds (distance) C4'-P energy: -27.560
bonds (distance) P-C4' energy: -28.821
flat angles C4'-P-C4' energy: -30.756
flat angles P-C4'-P energy: -24.178
tors. eta vs tors. theta energy: -41.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -423.502725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.502725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.502725 (E_RNA)
where:
Base-Base interactions energy: -286.963
where: short stacking energy: -131.582
Base-Backbone interact. energy: -0.723
local terms energy: -135.816658
where:
bonds (distance) C4'-P energy: -25.212
bonds (distance) P-C4' energy: -28.822
flat angles C4'-P-C4' energy: -25.442
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -37.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -358.763627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.763627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.763627 (E_RNA)
where:
Base-Base interactions energy: -221.527
where: short stacking energy: -124.833
Base-Backbone interact. energy: -0.245
local terms energy: -136.991958
where:
bonds (distance) C4'-P energy: -26.601
bonds (distance) P-C4' energy: -26.151
flat angles C4'-P-C4' energy: -29.740
flat angles P-C4'-P energy: -18.929
tors. eta vs tors. theta energy: -35.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -340.396635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.396635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.396635 (E_RNA)
where:
Base-Base interactions energy: -220.382
where: short stacking energy: -113.224
Base-Backbone interact. energy: 0.246
local terms energy: -120.260803
where:
bonds (distance) C4'-P energy: -23.743
bonds (distance) P-C4' energy: -22.611
flat angles C4'-P-C4' energy: -23.565
flat angles P-C4'-P energy: -19.262
tors. eta vs tors. theta energy: -31.080
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: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -288.104996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.104996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.104996 (E_RNA)
where:
Base-Base interactions energy: -164.791
where: short stacking energy: -102.882
Base-Backbone interact. energy: -0.157
local terms energy: -123.157450
where:
bonds (distance) C4'-P energy: -24.186
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -30.366
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -23.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -257.979798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.979798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.979798 (E_RNA)
where:
Base-Base interactions energy: -156.865
where: short stacking energy: -84.260
Base-Backbone interact. energy: -1.753
local terms energy: -99.361334
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -21.805
flat angles C4'-P-C4' energy: -24.380
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -23.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -275.843227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.843227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.843227 (E_RNA)
where:
Base-Base interactions energy: -170.557
where: short stacking energy: -101.635
Base-Backbone interact. energy: 0.067
local terms energy: -105.353110
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -22.885
flat angles C4'-P-C4' energy: -21.438
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -26.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -146.470136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.470136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.470136 (E_RNA)
where:
Base-Base interactions energy: -57.506
where: short stacking energy: -48.033
Base-Backbone interact. energy: 0.597
local terms energy: -89.561249
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -25.507
flat angles C4'-P-C4' energy: -24.780
flat angles P-C4'-P energy: -18.699
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: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -131.262928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.262928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.262928 (E_RNA)
where:
Base-Base interactions energy: -50.869
where: short stacking energy: -42.364
Base-Backbone interact. energy: -0.441
local terms energy: -79.953683
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -27.049
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -123.703660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.703660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.703660 (E_RNA)
where:
Base-Base interactions energy: -43.201
where: short stacking energy: -40.834
Base-Backbone interact. energy: -0.307
local terms energy: -80.196285
where:
bonds (distance) C4'-P energy: -27.131
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -6.394
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -431.429574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.429574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.429574 (E_RNA)
where:
Base-Base interactions energy: -276.984
where: short stacking energy: -143.462
Base-Backbone interact. energy: -0.904
local terms energy: -153.541233
where:
bonds (distance) C4'-P energy: -27.636
bonds (distance) P-C4' energy: -29.141
flat angles C4'-P-C4' energy: -31.404
flat angles P-C4'-P energy: -21.633
tors. eta vs tors. theta energy: -43.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -405.490614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.490614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.490614 (E_RNA)
where:
Base-Base interactions energy: -275.539
where: short stacking energy: -131.183
Base-Backbone interact. energy: 0.029
local terms energy: -129.980854
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -25.808
flat angles C4'-P-C4' energy: -27.678
flat angles P-C4'-P energy: -19.474
tors. eta vs tors. theta energy: -37.797
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: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -360.082325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.082325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.082325 (E_RNA)
where:
Base-Base interactions energy: -228.768
where: short stacking energy: -120.897
Base-Backbone interact. energy: -0.369
local terms energy: -130.945548
where:
bonds (distance) C4'-P energy: -25.764
bonds (distance) P-C4' energy: -29.101
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -33.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -331.109621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.109621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.109621 (E_RNA)
where:
Base-Base interactions energy: -204.502
where: short stacking energy: -112.402
Base-Backbone interact. energy: -0.579
local terms energy: -126.028942
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -28.115
flat angles C4'-P-C4' energy: -29.144
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -30.984
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: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -274.369767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.369767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.369767 (E_RNA)
where:
Base-Base interactions energy: -163.839
where: short stacking energy: -91.582
Base-Backbone interact. energy: -0.555
local terms energy: -109.975104
where:
bonds (distance) C4'-P energy: -26.451
bonds (distance) P-C4' energy: -18.036
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -23.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -260.134045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.134045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.134045 (E_RNA)
where:
Base-Base interactions energy: -161.972
where: short stacking energy: -89.295
Base-Backbone interact. energy: -1.691
local terms energy: -96.470677
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -30.336
flat angles P-C4'-P energy: -16.925
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: 7, replica: 3
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -278.306294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.306294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.306294 (E_RNA)
where:
Base-Base interactions energy: -175.241
where: short stacking energy: -88.301
Base-Backbone interact. energy: 0.841
local terms energy: -103.906243
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -24.226
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: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -144.919897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.919897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.919897 (E_RNA)
where:
Base-Base interactions energy: -51.281
where: short stacking energy: -35.474
Base-Backbone interact. energy: -1.853
local terms energy: -91.785616
where:
bonds (distance) C4'-P energy: -27.964
bonds (distance) P-C4' energy: -29.741
flat angles C4'-P-C4' energy: -24.791
flat angles P-C4'-P energy: -11.349
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: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -126.934180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.934180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.934180 (E_RNA)
where:
Base-Base interactions energy: -44.424
where: short stacking energy: -39.196
Base-Backbone interact. energy: -1.107
local terms energy: -81.403453
where:
bonds (distance) C4'-P energy: -22.651
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -22.105
flat angles P-C4'-P energy: -17.885
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: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -118.408270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.408270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.408270 (E_RNA)
where:
Base-Base interactions energy: -40.669
where: short stacking energy: -32.721
Base-Backbone interact. energy: -0.041
local terms energy: -77.697927
where:
bonds (distance) C4'-P energy: -27.325
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -13.778
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -428.580002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.580002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.580002 (E_RNA)
where:
Base-Base interactions energy: -286.331
where: short stacking energy: -141.713
Base-Backbone interact. energy: -0.204
local terms energy: -142.045229
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -28.790
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -19.513
tors. eta vs tors. theta energy: -39.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -373.172092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.172092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.172092 (E_RNA)
where:
Base-Base interactions energy: -229.183
where: short stacking energy: -128.920
Base-Backbone interact. energy: -0.032
local terms energy: -143.957167
where:
bonds (distance) C4'-P energy: -29.490
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -30.471
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: -35.396
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: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -419.360114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.360114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.360114 (E_RNA)
where:
Base-Base interactions energy: -280.156
where: short stacking energy: -140.813
Base-Backbone interact. energy: -0.814
local terms energy: -138.390089
where:
bonds (distance) C4'-P energy: -26.696
bonds (distance) P-C4' energy: -25.364
flat angles C4'-P-C4' energy: -28.775
flat angles P-C4'-P energy: -21.923
tors. eta vs tors. theta energy: -35.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -324.827952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.827952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.827952 (E_RNA)
where:
Base-Base interactions energy: -209.978
where: short stacking energy: -112.567
Base-Backbone interact. energy: -0.158
local terms energy: -114.691644
where:
bonds (distance) C4'-P energy: -22.319
bonds (distance) P-C4' energy: -24.437
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -28.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -261.641168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.641168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.641168 (E_RNA)
where:
Base-Base interactions energy: -156.962
where: short stacking energy: -91.906
Base-Backbone interact. energy: -1.501
local terms energy: -103.178396
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -25.614
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -21.626
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: 6, replica: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -282.400209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.400209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.400209 (E_RNA)
where:
Base-Base interactions energy: -172.123
where: short stacking energy: -91.725
Base-Backbone interact. energy: 2.065
local terms energy: -112.341764
where:
bonds (distance) C4'-P energy: -28.115
bonds (distance) P-C4' energy: -25.411
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -22.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -252.619047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.619047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.619047 (E_RNA)
where:
Base-Base interactions energy: -145.748
where: short stacking energy: -79.315
Base-Backbone interact. energy: -0.476
local terms energy: -106.395306
where:
bonds (distance) C4'-P energy: -25.688
bonds (distance) P-C4' energy: -24.846
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -16.013
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: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -152.390228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.390228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.390228 (E_RNA)
where:
Base-Base interactions energy: -61.311
where: short stacking energy: -57.586
Base-Backbone interact. energy: 0.747
local terms energy: -91.825725
where:
bonds (distance) C4'-P energy: -24.551
bonds (distance) P-C4' energy: -24.316
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -12.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -126.212525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.212525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.212525 (E_RNA)
where:
Base-Base interactions energy: -48.453
where: short stacking energy: -47.526
Base-Backbone interact. energy: 1.010
local terms energy: -78.769214
where:
bonds (distance) C4'-P energy: -20.651
bonds (distance) P-C4' energy: -26.324
flat angles C4'-P-C4' energy: -22.958
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -3.592
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: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -122.673102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.673102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.673102 (E_RNA)
where:
Base-Base interactions energy: -52.355
where: short stacking energy: -51.724
Base-Backbone interact. energy: -0.344
local terms energy: -69.973987
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -24.684
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -3.030
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -425.058841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.058841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.058841 (E_RNA)
where:
Base-Base interactions energy: -287.840
where: short stacking energy: -138.929
Base-Backbone interact. energy: -0.748
local terms energy: -136.471313
where:
bonds (distance) C4'-P energy: -21.764
bonds (distance) P-C4' energy: -27.774
flat angles C4'-P-C4' energy: -27.722
flat angles P-C4'-P energy: -19.220
tors. eta vs tors. theta energy: -39.991
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: 1
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -380.653082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.653082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.653082 (E_RNA)
where:
Base-Base interactions energy: -238.906
where: short stacking energy: -131.478
Base-Backbone interact. energy: -0.327
local terms energy: -141.420114
where:
bonds (distance) C4'-P energy: -22.694
bonds (distance) P-C4' energy: -27.379
flat angles C4'-P-C4' energy: -29.933
flat angles P-C4'-P energy: -23.498
tors. eta vs tors. theta energy: -37.916
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: 4
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -399.314738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.314738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.314738 (E_RNA)
where:
Base-Base interactions energy: -270.945
where: short stacking energy: -128.571
Base-Backbone interact. energy: -1.315
local terms energy: -127.054357
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -25.510
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -37.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -340.969724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.969724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.969724 (E_RNA)
where:
Base-Base interactions energy: -210.862
where: short stacking energy: -110.442
Base-Backbone interact. energy: -1.043
local terms energy: -129.065054
where:
bonds (distance) C4'-P energy: -23.801
bonds (distance) P-C4' energy: -26.534
flat angles C4'-P-C4' energy: -23.627
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -32.846
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: 5, replica: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -276.892505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.892505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.892505 (E_RNA)
where:
Base-Base interactions energy: -160.916
where: short stacking energy: -85.026
Base-Backbone interact. energy: -0.649
local terms energy: -115.327366
where:
bonds (distance) C4'-P energy: -25.168
bonds (distance) P-C4' energy: -29.836
flat angles C4'-P-C4' energy: -29.072
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -269.081168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.081168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.081168 (E_RNA)
where:
Base-Base interactions energy: -159.120
where: short stacking energy: -104.720
Base-Backbone interact. energy: -0.135
local terms energy: -109.825363
where:
bonds (distance) C4'-P energy: -20.779
bonds (distance) P-C4' energy: -22.081
flat angles C4'-P-C4' energy: -26.926
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -24.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -221.427291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.427291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.427291 (E_RNA)
where:
Base-Base interactions energy: -120.757
where: short stacking energy: -67.919
Base-Backbone interact. energy: -1.044
local terms energy: -99.626869
where:
bonds (distance) C4'-P energy: -21.139
bonds (distance) P-C4' energy: -29.583
flat angles C4'-P-C4' energy: -26.532
flat angles P-C4'-P energy: -16.025
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: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -139.583041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.583041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.583041 (E_RNA)
where:
Base-Base interactions energy: -45.583
where: short stacking energy: -43.565
Base-Backbone interact. energy: -0.735
local terms energy: -93.265266
where:
bonds (distance) C4'-P energy: -25.922
bonds (distance) P-C4' energy: -27.904
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -21.180
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: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -133.762290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.762290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.762290 (E_RNA)
where:
Base-Base interactions energy: -53.766
where: short stacking energy: -45.517
Base-Backbone interact. energy: 0.866
local terms energy: -80.862302
where:
bonds (distance) C4'-P energy: -26.990
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -6.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -123.383281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.383281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.383281 (E_RNA)
where:
Base-Base interactions energy: -49.381
where: short stacking energy: -48.151
Base-Backbone interact. energy: 0.864
local terms energy: -74.866373
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: 1.622
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -431.150229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.150229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.150229 (E_RNA)
where:
Base-Base interactions energy: -280.641
where: short stacking energy: -139.545
Base-Backbone interact. energy: -0.211
local terms energy: -150.298556
where:
bonds (distance) C4'-P energy: -29.954
bonds (distance) P-C4' energy: -27.853
flat angles C4'-P-C4' energy: -31.137
flat angles P-C4'-P energy: -18.699
tors. eta vs tors. theta energy: -42.655
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: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -403.843880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.843880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.843880 (E_RNA)
where:
Base-Base interactions energy: -264.672
where: short stacking energy: -132.658
Base-Backbone interact. energy: -1.216
local terms energy: -137.956231
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -28.828
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: -39.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -343.967498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.967498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.967498 (E_RNA)
where:
Base-Base interactions energy: -223.460
where: short stacking energy: -121.499
Base-Backbone interact. energy: -0.937
local terms energy: -119.571068
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -29.851
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -28.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -344.807168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.807168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.807168 (E_RNA)
where:
Base-Base interactions energy: -220.515
where: short stacking energy: -122.492
Base-Backbone interact. energy: -0.657
local terms energy: -123.635507
where:
bonds (distance) C4'-P energy: -28.461
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -17.352
tors. eta vs tors. theta energy: -32.211
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: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -293.096668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.096668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.096668 (E_RNA)
where:
Base-Base interactions energy: -186.136
where: short stacking energy: -98.568
Base-Backbone interact. energy: -0.694
local terms energy: -106.267267
where:
bonds (distance) C4'-P energy: -24.295
bonds (distance) P-C4' energy: -20.923
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -20.444
tors. eta vs tors. theta energy: -20.758
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: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -232.803464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.803464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.803464 (E_RNA)
where:
Base-Base interactions energy: -128.372
where: short stacking energy: -79.894
Base-Backbone interact. energy: -0.381
local terms energy: -104.050159
where:
bonds (distance) C4'-P energy: -26.587
bonds (distance) P-C4' energy: -26.109
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -15.237
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: 7, replica: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -256.489548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.489548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.489548 (E_RNA)
where:
Base-Base interactions energy: -144.870
where: short stacking energy: -86.663
Base-Backbone interact. energy: -0.186
local terms energy: -111.433467
where:
bonds (distance) C4'-P energy: -24.761
bonds (distance) P-C4' energy: -22.633
flat angles C4'-P-C4' energy: -30.079
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -18.978
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: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -138.184652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.184652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.184652 (E_RNA)
where:
Base-Base interactions energy: -47.334
where: short stacking energy: -42.005
Base-Backbone interact. energy: -0.065
local terms energy: -90.785609
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -25.397
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -135.488758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.488758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.488758 (E_RNA)
where:
Base-Base interactions energy: -47.451
where: short stacking energy: -47.061
Base-Backbone interact. energy: 0.214
local terms energy: -88.252504
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -28.252
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -9.031
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: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -127.564636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.564636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.564636 (E_RNA)
where:
Base-Base interactions energy: -43.600
where: short stacking energy: -37.039
Base-Backbone interact. energy: -0.249
local terms energy: -83.716410
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -26.851
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -407.501003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.501003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.501003 (E_RNA)
where:
Base-Base interactions energy: -267.863
where: short stacking energy: -129.933
Base-Backbone interact. energy: -0.843
local terms energy: -138.794997
where:
bonds (distance) C4'-P energy: -29.116
bonds (distance) P-C4' energy: -25.485
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -37.146
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: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -430.608849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.608849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.608849 (E_RNA)
where:
Base-Base interactions energy: -295.380
where: short stacking energy: -153.152
Base-Backbone interact. energy: -0.683
local terms energy: -134.546243
where:
bonds (distance) C4'-P energy: -24.148
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -26.472
flat angles P-C4'-P energy: -20.019
tors. eta vs tors. theta energy: -41.763
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: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -335.875177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.875177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.875177 (E_RNA)
where:
Base-Base interactions energy: -203.201
where: short stacking energy: -111.488
Base-Backbone interact. energy: -0.333
local terms energy: -132.340644
where:
bonds (distance) C4'-P energy: -26.494
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -30.325
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -33.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -339.192252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.192252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.192252 (E_RNA)
where:
Base-Base interactions energy: -216.906
where: short stacking energy: -119.407
Base-Backbone interact. energy: -0.117
local terms energy: -122.169538
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -24.739
flat angles C4'-P-C4' energy: -26.151
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -34.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -281.539226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.539226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.539226 (E_RNA)
where:
Base-Base interactions energy: -175.361
where: short stacking energy: -90.103
Base-Backbone interact. energy: -0.564
local terms energy: -105.613820
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -27.882
flat angles C4'-P-C4' energy: -24.101
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -16.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -232.811553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.811553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.811553 (E_RNA)
where:
Base-Base interactions energy: -142.366
where: short stacking energy: -83.396
Base-Backbone interact. energy: -1.230
local terms energy: -89.215239
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -26.164
flat angles C4'-P-C4' energy: -24.005
flat angles P-C4'-P energy: -11.631
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: 7, replica: 5
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -252.023507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.023507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.023507 (E_RNA)
where:
Base-Base interactions energy: -144.447
where: short stacking energy: -79.642
Base-Backbone interact. energy: -0.144
local terms energy: -107.432612
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -23.475
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -22.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -153.362867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.362867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.362867 (E_RNA)
where:
Base-Base interactions energy: -69.821
where: short stacking energy: -61.745
Base-Backbone interact. energy: -0.072
local terms energy: -83.470017
where:
bonds (distance) C4'-P energy: -21.023
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -9.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -136.248990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.248990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.248990 (E_RNA)
where:
Base-Base interactions energy: -51.519
where: short stacking energy: -46.251
Base-Backbone interact. energy: 0.007
local terms energy: -84.736632
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -29.911
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -3.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -136.342482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.342482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.342482 (E_RNA)
where:
Base-Base interactions energy: -69.618
where: short stacking energy: -50.112
Base-Backbone interact. energy: 4.541
local terms energy: -71.265312
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -23.989
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -3.846
tors. eta vs tors. theta energy: 1.641
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -405.743176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.743176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.743176 (E_RNA)
where:
Base-Base interactions energy: -261.409
where: short stacking energy: -128.003
Base-Backbone interact. energy: -0.756
local terms energy: -143.578181
where:
bonds (distance) C4'-P energy: -29.142
bonds (distance) P-C4' energy: -28.768
flat angles C4'-P-C4' energy: -28.875
flat angles P-C4'-P energy: -19.304
tors. eta vs tors. theta energy: -37.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -347.845693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.845693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.845693 (E_RNA)
where:
Base-Base interactions energy: -218.981
where: short stacking energy: -116.867
Base-Backbone interact. energy: 0.333
local terms energy: -129.197653
where:
bonds (distance) C4'-P energy: -22.275
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -29.447
flat angles P-C4'-P energy: -21.522
tors. eta vs tors. theta energy: -32.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -414.913771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.913771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.913771 (E_RNA)
where:
Base-Base interactions energy: -264.517
where: short stacking energy: -126.827
Base-Backbone interact. energy: -1.097
local terms energy: -149.299331
where:
bonds (distance) C4'-P energy: -28.636
bonds (distance) P-C4' energy: -30.045
flat angles C4'-P-C4' energy: -26.778
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: -41.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -343.232937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.232937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.232937 (E_RNA)
where:
Base-Base interactions energy: -214.451
where: short stacking energy: -119.828
Base-Backbone interact. energy: -0.107
local terms energy: -128.675043
where:
bonds (distance) C4'-P energy: -28.290
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -29.497
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -33.425
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: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -317.728887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.728887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.728887 (E_RNA)
where:
Base-Base interactions energy: -202.688
where: short stacking energy: -105.420
Base-Backbone interact. energy: -0.539
local terms energy: -114.502344
where:
bonds (distance) C4'-P energy: -26.211
bonds (distance) P-C4' energy: -24.306
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -17.296
tors. eta vs tors. theta energy: -23.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -230.872376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.872376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.872376 (E_RNA)
where:
Base-Base interactions energy: -136.739
where: short stacking energy: -75.256
Base-Backbone interact. energy: -1.647
local terms energy: -92.486868
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -13.548
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: 291
Temperature: 1.200000
Total energy: -232.898085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.898085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.898085 (E_RNA)
where:
Base-Base interactions energy: -139.595
where: short stacking energy: -75.619
Base-Backbone interact. energy: -0.488
local terms energy: -92.815073
where:
bonds (distance) C4'-P energy: -27.176
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -133.754746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.754746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.754746 (E_RNA)
where:
Base-Base interactions energy: -55.458
where: short stacking energy: -50.967
Base-Backbone interact. energy: 0.879
local terms energy: -79.175449
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -25.300
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -1.435
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: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -138.570548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.570548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.570548 (E_RNA)
where:
Base-Base interactions energy: -55.199
where: short stacking energy: -52.421
Base-Backbone interact. energy: -0.756
local terms energy: -82.615718
where:
bonds (distance) C4'-P energy: -24.091
bonds (distance) P-C4' energy: -25.707
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -133.984448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.984448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.984448 (E_RNA)
where:
Base-Base interactions energy: -47.974
where: short stacking energy: -47.974
Base-Backbone interact. energy: -0.033
local terms energy: -85.977361
where:
bonds (distance) C4'-P energy: -27.515
bonds (distance) P-C4' energy: -23.048
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -6.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -403.838012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.838012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.838012 (E_RNA)
where:
Base-Base interactions energy: -267.495
where: short stacking energy: -130.770
Base-Backbone interact. energy: -0.468
local terms energy: -135.875433
where:
bonds (distance) C4'-P energy: -27.009
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -32.440
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -37.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -353.018881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.018881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.018881 (E_RNA)
where:
Base-Base interactions energy: -220.838
where: short stacking energy: -128.372
Base-Backbone interact. energy: -0.386
local terms energy: -131.794424
where:
bonds (distance) C4'-P energy: -24.179
bonds (distance) P-C4' energy: -22.379
flat angles C4'-P-C4' energy: -31.594
flat angles P-C4'-P energy: -20.884
tors. eta vs tors. theta energy: -32.757
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: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -405.158592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.158592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.158592 (E_RNA)
where:
Base-Base interactions energy: -275.621
where: short stacking energy: -129.826
Base-Backbone interact. energy: -0.928
local terms energy: -128.609934
where:
bonds (distance) C4'-P energy: -21.123
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -16.938
tors. eta vs tors. theta energy: -41.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -341.368651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.368651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.368651 (E_RNA)
where:
Base-Base interactions energy: -221.760
where: short stacking energy: -118.321
Base-Backbone interact. energy: -0.634
local terms energy: -118.974528
where:
bonds (distance) C4'-P energy: -26.720
bonds (distance) P-C4' energy: -24.633
flat angles C4'-P-C4' energy: -24.982
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -29.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -292.921341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.921341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.921341 (E_RNA)
where:
Base-Base interactions energy: -173.181
where: short stacking energy: -97.493
Base-Backbone interact. energy: -0.120
local terms energy: -119.620464
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -29.855
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -20.652
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -255.101007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.101007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.101007 (E_RNA)
where:
Base-Base interactions energy: -161.109
where: short stacking energy: -88.716
Base-Backbone interact. energy: -1.047
local terms energy: -92.945308
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -26.434
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -13.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -272.566476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.566476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.566476 (E_RNA)
where:
Base-Base interactions energy: -157.738
where: short stacking energy: -80.316
Base-Backbone interact. energy: -0.399
local terms energy: -114.429014
where:
bonds (distance) C4'-P energy: -25.245
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -21.769
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -25.827
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: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -140.406082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.406082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.406082 (E_RNA)
where:
Base-Base interactions energy: -59.111
where: short stacking energy: -58.322
Base-Backbone interact. energy: -0.158
local terms energy: -81.136454
where:
bonds (distance) C4'-P energy: -23.649
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -134.153232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.153232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.153232 (E_RNA)
where:
Base-Base interactions energy: -55.055
where: short stacking energy: -49.676
Base-Backbone interact. energy: 1.823
local terms energy: -80.922028
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -24.986
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -135.605477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.605477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.605477 (E_RNA)
where:
Base-Base interactions energy: -48.199
where: short stacking energy: -46.233
Base-Backbone interact. energy: -0.509
local terms energy: -86.897165
where:
bonds (distance) C4'-P energy: -21.273
bonds (distance) P-C4' energy: -22.128
flat angles C4'-P-C4' energy: -27.479
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -6.049
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -408.348875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.348875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.348875 (E_RNA)
where:
Base-Base interactions energy: -274.032
where: short stacking energy: -140.996
Base-Backbone interact. energy: -0.833
local terms energy: -133.484303
where:
bonds (distance) C4'-P energy: -22.518
bonds (distance) P-C4' energy: -23.608
flat angles C4'-P-C4' energy: -23.539
flat angles P-C4'-P energy: -21.019
tors. eta vs tors. theta energy: -42.800
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: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -421.598799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.598799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.598799 (E_RNA)
where:
Base-Base interactions energy: -279.133
where: short stacking energy: -140.546
Base-Backbone interact. energy: -0.801
local terms energy: -141.664931
where:
bonds (distance) C4'-P energy: -29.845
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -24.347
flat angles P-C4'-P energy: -19.689
tors. eta vs tors. theta energy: -41.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -328.668307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.668307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.668307 (E_RNA)
where:
Base-Base interactions energy: -208.351
where: short stacking energy: -105.911
Base-Backbone interact. energy: -0.108
local terms energy: -120.209017
where:
bonds (distance) C4'-P energy: -22.460
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -25.640
flat angles P-C4'-P energy: -22.510
tors. eta vs tors. theta energy: -25.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -331.030510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.030510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.030510 (E_RNA)
where:
Base-Base interactions energy: -213.525
where: short stacking energy: -103.995
Base-Backbone interact. energy: -1.198
local terms energy: -116.307465
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -28.212
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -17.607
tors. eta vs tors. theta energy: -24.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -343.010136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.010136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.010136 (E_RNA)
where:
Base-Base interactions energy: -214.778
where: short stacking energy: -123.355
Base-Backbone interact. energy: -0.174
local terms energy: -128.058389
where:
bonds (distance) C4'-P energy: -28.406
bonds (distance) P-C4' energy: -26.526
flat angles C4'-P-C4' energy: -21.989
flat angles P-C4'-P energy: -21.100
tors. eta vs tors. theta energy: -30.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -287.115999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.115999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.115999 (E_RNA)
where:
Base-Base interactions energy: -185.965
where: short stacking energy: -97.160
Base-Backbone interact. energy: -0.926
local terms energy: -100.224629
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -23.595
flat angles C4'-P-C4' energy: -26.531
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -23.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -228.202251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.202251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.202251 (E_RNA)
where:
Base-Base interactions energy: -159.024
where: short stacking energy: -74.008
Base-Backbone interact. energy: 1.877
local terms energy: -71.055800
where:
bonds (distance) C4'-P energy: -21.428
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -7.233
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: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -142.390262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.390262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.390262 (E_RNA)
where:
Base-Base interactions energy: -55.009
where: short stacking energy: -48.461
Base-Backbone interact. energy: 0.939
local terms energy: -88.320778
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -26.568
flat angles P-C4'-P energy: -20.091
tors. eta vs tors. theta energy: 0.290
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: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -132.256842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.256842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.256842 (E_RNA)
where:
Base-Base interactions energy: -44.126
where: short stacking energy: -44.075
Base-Backbone interact. energy: -0.490
local terms energy: -87.641189
where:
bonds (distance) C4'-P energy: -28.132
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -29.244
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -1.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -119.821687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.821687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.821687 (E_RNA)
where:
Base-Base interactions energy: -55.527
where: short stacking energy: -36.321
Base-Backbone interact. energy: 0.846
local terms energy: -65.140245
where:
bonds (distance) C4'-P energy: -22.862
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -9.089
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: 3.086
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -424.241373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.241373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.241373 (E_RNA)
where:
Base-Base interactions energy: -279.149
where: short stacking energy: -140.154
Base-Backbone interact. energy: -0.159
local terms energy: -144.934200
where:
bonds (distance) C4'-P energy: -28.956
bonds (distance) P-C4' energy: -27.771
flat angles C4'-P-C4' energy: -26.869
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: -44.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -393.970499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.970499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.970499 (E_RNA)
where:
Base-Base interactions energy: -260.194
where: short stacking energy: -134.782
Base-Backbone interact. energy: -0.304
local terms energy: -133.472774
where:
bonds (distance) C4'-P energy: -28.365
bonds (distance) P-C4' energy: -24.217
flat angles C4'-P-C4' energy: -24.808
flat angles P-C4'-P energy: -20.294
tors. eta vs tors. theta energy: -35.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -361.325390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.325390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.325390 (E_RNA)
where:
Base-Base interactions energy: -227.823
where: short stacking energy: -127.062
Base-Backbone interact. energy: 0.356
local terms energy: -133.857896
where:
bonds (distance) C4'-P energy: -28.907
bonds (distance) P-C4' energy: -26.721
flat angles C4'-P-C4' energy: -25.590
flat angles P-C4'-P energy: -19.859
tors. eta vs tors. theta energy: -32.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -331.328473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.328473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.328473 (E_RNA)
where:
Base-Base interactions energy: -216.903
where: short stacking energy: -113.619
Base-Backbone interact. energy: 0.518
local terms energy: -114.943819
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -20.923
flat angles C4'-P-C4' energy: -27.761
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -29.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -332.972683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.972683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.972683 (E_RNA)
where:
Base-Base interactions energy: -204.166
where: short stacking energy: -99.278
Base-Backbone interact. energy: -1.467
local terms energy: -127.339719
where:
bonds (distance) C4'-P energy: -28.145
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -26.512
flat angles P-C4'-P energy: -19.259
tors. eta vs tors. theta energy: -27.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -272.288167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.288167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.288167 (E_RNA)
where:
Base-Base interactions energy: -162.032
where: short stacking energy: -84.893
Base-Backbone interact. energy: 0.501
local terms energy: -110.756996
where:
bonds (distance) C4'-P energy: -25.328
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -27.478
flat angles P-C4'-P energy: -20.572
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: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -218.851060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.851060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.851060 (E_RNA)
where:
Base-Base interactions energy: -131.459
where: short stacking energy: -58.955
Base-Backbone interact. energy: -2.026
local terms energy: -85.366582
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -19.025
flat angles C4'-P-C4' energy: -25.414
flat angles P-C4'-P energy: -17.807
tors. eta vs tors. theta energy: -7.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -164.150836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.150836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.150836 (E_RNA)
where:
Base-Base interactions energy: -70.543
where: short stacking energy: -68.715
Base-Backbone interact. energy: -0.931
local terms energy: -92.676727
where:
bonds (distance) C4'-P energy: -22.598
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -22.658
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -137.256926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.256926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.256926 (E_RNA)
where:
Base-Base interactions energy: -56.114
where: short stacking energy: -53.724
Base-Backbone interact. energy: -0.207
local terms energy: -80.935768
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -22.445
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: -5.985
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: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -125.383625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.383625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.383625 (E_RNA)
where:
Base-Base interactions energy: -43.366
where: short stacking energy: -43.366
Base-Backbone interact. energy: -0.259
local terms energy: -81.759130
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -4.932
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -434.818056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.818056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.818056 (E_RNA)
where:
Base-Base interactions energy: -285.966
where: short stacking energy: -146.159
Base-Backbone interact. energy: -0.002
local terms energy: -148.850425
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -28.301
flat angles C4'-P-C4' energy: -31.501
flat angles P-C4'-P energy: -24.652
tors. eta vs tors. theta energy: -44.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -397.274561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.274561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.274561 (E_RNA)
where:
Base-Base interactions energy: -256.397
where: short stacking energy: -126.552
Base-Backbone interact. energy: -0.319
local terms energy: -140.558302
where:
bonds (distance) C4'-P energy: -23.728
bonds (distance) P-C4' energy: -30.960
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -36.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -361.865434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.865434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.865434 (E_RNA)
where:
Base-Base interactions energy: -225.980
where: short stacking energy: -130.405
Base-Backbone interact. energy: -0.006
local terms energy: -135.879369
where:
bonds (distance) C4'-P energy: -23.980
bonds (distance) P-C4' energy: -24.603
flat angles C4'-P-C4' energy: -28.732
flat angles P-C4'-P energy: -18.852
tors. eta vs tors. theta energy: -39.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -323.229523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.229523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.229523 (E_RNA)
where:
Base-Base interactions energy: -198.792
where: short stacking energy: -96.133
Base-Backbone interact. energy: -0.210
local terms energy: -124.227635
where:
bonds (distance) C4'-P energy: -23.947
bonds (distance) P-C4' energy: -26.975
flat angles C4'-P-C4' energy: -25.420
flat angles P-C4'-P energy: -20.086
tors. eta vs tors. theta energy: -27.800
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: 295
Temperature: 1.100000
Total energy: -323.317015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.317015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.317015 (E_RNA)
where:
Base-Base interactions energy: -211.152
where: short stacking energy: -116.781
Base-Backbone interact. energy: -0.632
local terms energy: -111.532569
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -24.607
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -30.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -254.284348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.284348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.284348 (E_RNA)
where:
Base-Base interactions energy: -155.991
where: short stacking energy: -84.940
Base-Backbone interact. energy: -0.094
local terms energy: -98.198765
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -25.677
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -22.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -232.700400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.700400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.700400 (E_RNA)
where:
Base-Base interactions energy: -140.346
where: short stacking energy: -74.032
Base-Backbone interact. energy: -0.338
local terms energy: -92.016388
where:
bonds (distance) C4'-P energy: -26.853
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -22.570
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -10.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -163.797121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.797121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.797121 (E_RNA)
where:
Base-Base interactions energy: -86.733
where: short stacking energy: -62.683
Base-Backbone interact. energy: -0.030
local terms energy: -77.034054
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -7.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -126.619757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.619757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.619757 (E_RNA)
where:
Base-Base interactions energy: -40.986
where: short stacking energy: -37.850
Base-Backbone interact. energy: -0.767
local terms energy: -84.867074
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -28.659
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -16.830
tors. eta vs tors. theta energy: 0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -127.755175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.755175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.755175 (E_RNA)
where:
Base-Base interactions energy: -45.781
where: short stacking energy: -41.211
Base-Backbone interact. energy: -0.537
local terms energy: -81.437408
where:
bonds (distance) C4'-P energy: -21.599
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -19.600
flat angles P-C4'-P energy: -13.527
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -422.865873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.865873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.865873 (E_RNA)
where:
Base-Base interactions energy: -278.164
where: short stacking energy: -129.471
Base-Backbone interact. energy: -1.242
local terms energy: -143.460225
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -26.606
flat angles C4'-P-C4' energy: -29.339
flat angles P-C4'-P energy: -21.779
tors. eta vs tors. theta energy: -40.482
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: 2, replica: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -400.688613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.688613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.688613 (E_RNA)
where:
Base-Base interactions energy: -279.368
where: short stacking energy: -138.118
Base-Backbone interact. energy: -0.063
local terms energy: -121.257949
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -24.192
flat angles P-C4'-P energy: -21.592
tors. eta vs tors. theta energy: -34.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -365.938763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.938763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.938763 (E_RNA)
where:
Base-Base interactions energy: -227.147
where: short stacking energy: -123.953
Base-Backbone interact. energy: -1.419
local terms energy: -137.372690
where:
bonds (distance) C4'-P energy: -27.589
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -28.392
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -42.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -334.136773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.136773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.136773 (E_RNA)
where:
Base-Base interactions energy: -211.903
where: short stacking energy: -105.701
Base-Backbone interact. energy: -0.846
local terms energy: -121.388014
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -27.980
flat angles P-C4'-P energy: -16.285
tors. eta vs tors. theta energy: -35.321
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: 296
Temperature: 1.100000
Total energy: -317.293062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.293062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.293062 (E_RNA)
where:
Base-Base interactions energy: -204.544
where: short stacking energy: -108.640
Base-Backbone interact. energy: -0.441
local terms energy: -112.307725
where:
bonds (distance) C4'-P energy: -21.147
bonds (distance) P-C4' energy: -29.458
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -25.151
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: 3
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -270.447910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.447910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.447910 (E_RNA)
where:
Base-Base interactions energy: -172.424
where: short stacking energy: -95.185
Base-Backbone interact. energy: -1.787
local terms energy: -96.237055
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -23.146
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -225.348641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.348641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.348641 (E_RNA)
where:
Base-Base interactions energy: -141.691
where: short stacking energy: -84.902
Base-Backbone interact. energy: -0.303
local terms energy: -83.354938
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -22.645
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -145.815788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.815788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.815788 (E_RNA)
where:
Base-Base interactions energy: -54.673
where: short stacking energy: -53.784
Base-Backbone interact. energy: -0.390
local terms energy: -90.753491
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -23.407
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -135.764366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.764366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.764366 (E_RNA)
where:
Base-Base interactions energy: -42.317
where: short stacking energy: -38.793
Base-Backbone interact. energy: -0.323
local terms energy: -93.123993
where:
bonds (distance) C4'-P energy: -22.236
bonds (distance) P-C4' energy: -24.573
flat angles C4'-P-C4' energy: -26.606
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -142.552087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.552087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.552087 (E_RNA)
where:
Base-Base interactions energy: -58.278
where: short stacking energy: -46.451
Base-Backbone interact. energy: -0.257
local terms energy: -84.016641
where:
bonds (distance) C4'-P energy: -22.030
bonds (distance) P-C4' energy: -23.161
flat angles C4'-P-C4' energy: -15.695
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -4.783
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -430.717052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.717052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.717052 (E_RNA)
where:
Base-Base interactions energy: -288.193
where: short stacking energy: -146.019
Base-Backbone interact. energy: -0.005
local terms energy: -142.518517
where:
bonds (distance) C4'-P energy: -29.097
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -31.690
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -40.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -399.653033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.653033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.653033 (E_RNA)
where:
Base-Base interactions energy: -267.160
where: short stacking energy: -129.217
Base-Backbone interact. energy: -0.049
local terms energy: -132.443663
where:
bonds (distance) C4'-P energy: -24.716
bonds (distance) P-C4' energy: -25.432
flat angles C4'-P-C4' energy: -26.604
flat angles P-C4'-P energy: -19.490
tors. eta vs tors. theta energy: -36.202
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: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -340.688185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.688185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.688185 (E_RNA)
where:
Base-Base interactions energy: -211.176
where: short stacking energy: -118.083
Base-Backbone interact. energy: -0.670
local terms energy: -128.841923
where:
bonds (distance) C4'-P energy: -23.355
bonds (distance) P-C4' energy: -23.725
flat angles C4'-P-C4' energy: -30.511
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -31.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -340.850499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.850499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.850499 (E_RNA)
where:
Base-Base interactions energy: -207.385
where: short stacking energy: -115.668
Base-Backbone interact. energy: -0.740
local terms energy: -132.724793
where:
bonds (distance) C4'-P energy: -23.574
bonds (distance) P-C4' energy: -23.538
flat angles C4'-P-C4' energy: -31.872
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -37.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -343.730561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.730561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.730561 (E_RNA)
where:
Base-Base interactions energy: -226.718
where: short stacking energy: -99.641
Base-Backbone interact. energy: -0.791
local terms energy: -116.221811
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -27.784
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -28.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -297.957962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.957962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.957962 (E_RNA)
where:
Base-Base interactions energy: -177.837
where: short stacking energy: -86.003
Base-Backbone interact. energy: -1.239
local terms energy: -118.881607
where:
bonds (distance) C4'-P energy: -26.398
bonds (distance) P-C4' energy: -28.293
flat angles C4'-P-C4' energy: -27.756
flat angles P-C4'-P energy: -21.699
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: 7, replica: 5
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -229.076736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.076736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.076736 (E_RNA)
where:
Base-Base interactions energy: -140.991
where: short stacking energy: -81.941
Base-Backbone interact. energy: 1.577
local terms energy: -89.662941
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -24.322
flat angles P-C4'-P energy: -20.128
tors. eta vs tors. theta energy: -11.828
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: 7
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -151.538401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.538401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.538401 (E_RNA)
where:
Base-Base interactions energy: -61.374
where: short stacking energy: -61.211
Base-Backbone interact. energy: -0.305
local terms energy: -89.859624
where:
bonds (distance) C4'-P energy: -21.828
bonds (distance) P-C4' energy: -26.729
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -142.601229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.601229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.601229 (E_RNA)
where:
Base-Base interactions energy: -59.154
where: short stacking energy: -51.924
Base-Backbone interact. energy: 0.798
local terms energy: -84.245144
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -8.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -125.310145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.310145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.310145 (E_RNA)
where:
Base-Base interactions energy: -53.515
where: short stacking energy: -53.075
Base-Backbone interact. energy: -0.250
local terms energy: -71.544801
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -23.900
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -0.455
tors. eta vs tors. theta energy: -11.488
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -423.456443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.456443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.456443 (E_RNA)
where:
Base-Base interactions energy: -274.736
where: short stacking energy: -130.671
Base-Backbone interact. energy: -0.441
local terms energy: -148.279662
where:
bonds (distance) C4'-P energy: -30.098
bonds (distance) P-C4' energy: -28.340
flat angles C4'-P-C4' energy: -26.133
flat angles P-C4'-P energy: -24.082
tors. eta vs tors. theta energy: -39.627
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: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -387.347962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.347962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.347962 (E_RNA)
where:
Base-Base interactions energy: -256.793
where: short stacking energy: -123.062
Base-Backbone interact. energy: -0.884
local terms energy: -129.670220
where:
bonds (distance) C4'-P energy: -26.624
bonds (distance) P-C4' energy: -22.584
flat angles C4'-P-C4' energy: -28.691
flat angles P-C4'-P energy: -17.628
tors. eta vs tors. theta energy: -34.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -339.407958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.407958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.407958 (E_RNA)
where:
Base-Base interactions energy: -209.227
where: short stacking energy: -114.364
Base-Backbone interact. energy: -0.227
local terms energy: -129.953308
where:
bonds (distance) C4'-P energy: -26.658
bonds (distance) P-C4' energy: -23.101
flat angles C4'-P-C4' energy: -30.002
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -30.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -342.930175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.930175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.930175 (E_RNA)
where:
Base-Base interactions energy: -218.892
where: short stacking energy: -119.046
Base-Backbone interact. energy: -0.421
local terms energy: -123.617783
where:
bonds (distance) C4'-P energy: -25.264
bonds (distance) P-C4' energy: -25.836
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -16.037
tors. eta vs tors. theta energy: -35.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -297.237181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.237181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.237181 (E_RNA)
where:
Base-Base interactions energy: -174.360
where: short stacking energy: -91.753
Base-Backbone interact. energy: -0.401
local terms energy: -122.477034
where:
bonds (distance) C4'-P energy: -28.471
bonds (distance) P-C4' energy: -26.070
flat angles C4'-P-C4' energy: -21.869
flat angles P-C4'-P energy: -20.564
tors. eta vs tors. theta energy: -25.503
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: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -314.295418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.295418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.295418 (E_RNA)
where:
Base-Base interactions energy: -214.631
where: short stacking energy: -99.808
Base-Backbone interact. energy: -0.614
local terms energy: -99.051046
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -25.201
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -16.869
tors. eta vs tors. theta energy: -23.161
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: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -246.189951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.189951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.189951 (E_RNA)
where:
Base-Base interactions energy: -145.332
where: short stacking energy: -81.977
Base-Backbone interact. energy: 0.249
local terms energy: -101.106417
where:
bonds (distance) C4'-P energy: -21.736
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -21.472
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: 7
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -150.128517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.128517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.128517 (E_RNA)
where:
Base-Base interactions energy: -64.213
where: short stacking energy: -50.729
Base-Backbone interact. energy: -2.084
local terms energy: -83.831020
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -27.084
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -144.708819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.708819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.708819 (E_RNA)
where:
Base-Base interactions energy: -54.313
where: short stacking energy: -50.081
Base-Backbone interact. energy: -0.079
local terms energy: -90.316182
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -25.464
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -21.474
tors. eta vs tors. theta energy: -10.286
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: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -122.233738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.233738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.233738 (E_RNA)
where:
Base-Base interactions energy: -55.171
where: short stacking energy: -39.800
Base-Backbone interact. energy: 0.084
local terms energy: -67.146641
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -5.604
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -423.324439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.324439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.324439 (E_RNA)
where:
Base-Base interactions energy: -274.438
where: short stacking energy: -134.587
Base-Backbone interact. energy: -0.179
local terms energy: -148.706919
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -30.937
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -22.286
tors. eta vs tors. theta energy: -44.116
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: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -388.131654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.131654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.131654 (E_RNA)
where:
Base-Base interactions energy: -265.636
where: short stacking energy: -117.505
Base-Backbone interact. energy: 1.095
local terms energy: -123.590043
where:
bonds (distance) C4'-P energy: -19.558
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -28.647
flat angles P-C4'-P energy: -21.118
tors. eta vs tors. theta energy: -30.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -350.386619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.386619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.386619 (E_RNA)
where:
Base-Base interactions energy: -227.095
where: short stacking energy: -112.055
Base-Backbone interact. energy: -1.362
local terms energy: -121.928977
where:
bonds (distance) C4'-P energy: -26.310
bonds (distance) P-C4' energy: -23.814
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: -28.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -355.049267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.049267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.049267 (E_RNA)
where:
Base-Base interactions energy: -232.869
where: short stacking energy: -117.520
Base-Backbone interact. energy: 0.081
local terms energy: -122.260949
where:
bonds (distance) C4'-P energy: -21.904
bonds (distance) P-C4' energy: -27.589
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -34.754
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: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -308.274322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.274322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.274322 (E_RNA)
where:
Base-Base interactions energy: -194.242
where: short stacking energy: -113.140
Base-Backbone interact. energy: -0.779
local terms energy: -113.252889
where:
bonds (distance) C4'-P energy: -25.405
bonds (distance) P-C4' energy: -24.588
flat angles C4'-P-C4' energy: -23.872
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -24.206
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: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -243.323160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.323160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.323160 (E_RNA)
where:
Base-Base interactions energy: -146.127
where: short stacking energy: -66.064
Base-Backbone interact. energy: -0.550
local terms energy: -96.646878
where:
bonds (distance) C4'-P energy: -20.788
bonds (distance) P-C4' energy: -27.659
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -260.245880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.245880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.245880 (E_RNA)
where:
Base-Base interactions energy: -171.959
where: short stacking energy: -94.946
Base-Backbone interact. energy: -0.113
local terms energy: -88.173703
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -25.872
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -18.560
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: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -151.860481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.860481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.860481 (E_RNA)
where:
Base-Base interactions energy: -59.391
where: short stacking energy: -46.707
Base-Backbone interact. energy: -0.640
local terms energy: -91.829231
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -27.691
flat angles C4'-P-C4' energy: -21.046
flat angles P-C4'-P energy: -18.109
tors. eta vs tors. theta energy: -2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -125.834999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.834999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.834999 (E_RNA)
where:
Base-Base interactions energy: -49.986
where: short stacking energy: -44.147
Base-Backbone interact. energy: -0.334
local terms energy: -75.515161
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -26.522
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -9.554
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: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -126.526946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.526946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.526946 (E_RNA)
where:
Base-Base interactions energy: -39.086
where: short stacking energy: -38.521
Base-Backbone interact. energy: -1.541
local terms energy: -85.900282
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -23.360
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -429.294581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.294581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.294581 (E_RNA)
where:
Base-Base interactions energy: -283.947
where: short stacking energy: -142.333
Base-Backbone interact. energy: -0.610
local terms energy: -144.736797
where:
bonds (distance) C4'-P energy: -24.574
bonds (distance) P-C4' energy: -27.218
flat angles C4'-P-C4' energy: -28.650
flat angles P-C4'-P energy: -20.134
tors. eta vs tors. theta energy: -44.161
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: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -398.033369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.033369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.033369 (E_RNA)
where:
Base-Base interactions energy: -256.460
where: short stacking energy: -128.924
Base-Backbone interact. energy: -0.517
local terms energy: -141.056385
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -29.104
flat angles C4'-P-C4' energy: -31.376
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -37.419
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: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -367.591777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.591777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.591777 (E_RNA)
where:
Base-Base interactions energy: -234.837
where: short stacking energy: -118.851
Base-Backbone interact. energy: -1.154
local terms energy: -131.601563
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -26.951
flat angles C4'-P-C4' energy: -27.710
flat angles P-C4'-P energy: -24.752
tors. eta vs tors. theta energy: -31.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -343.717528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.717528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.717528 (E_RNA)
where:
Base-Base interactions energy: -223.272
where: short stacking energy: -123.441
Base-Backbone interact. energy: 1.431
local terms energy: -121.877186
where:
bonds (distance) C4'-P energy: -29.854
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -29.052
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: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -299.851643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.851643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.851643 (E_RNA)
where:
Base-Base interactions energy: -188.223
where: short stacking energy: -97.621
Base-Backbone interact. energy: -1.315
local terms energy: -110.313556
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -22.475
flat angles C4'-P-C4' energy: -26.449
flat angles P-C4'-P energy: -19.691
tors. eta vs tors. theta energy: -20.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -249.661164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.661164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.661164 (E_RNA)
where:
Base-Base interactions energy: -154.507
where: short stacking energy: -85.019
Base-Backbone interact. energy: 1.139
local terms energy: -96.292646
where:
bonds (distance) C4'-P energy: -22.325
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -22.844
flat angles P-C4'-P energy: -15.181
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: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -267.533552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.533552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.533552 (E_RNA)
where:
Base-Base interactions energy: -172.394
where: short stacking energy: -94.913
Base-Backbone interact. energy: -0.088
local terms energy: -95.051623
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -25.561
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -25.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -139.898726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.898726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.898726 (E_RNA)
where:
Base-Base interactions energy: -59.256
where: short stacking energy: -41.134
Base-Backbone interact. energy: -0.196
local terms energy: -80.447144
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -27.686
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -8.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -135.569284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.569284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.569284 (E_RNA)
where:
Base-Base interactions energy: -62.550
where: short stacking energy: -59.878
Base-Backbone interact. energy: 3.191
local terms energy: -76.209820
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -24.152
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -11.756
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: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -131.932639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.932639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.932639 (E_RNA)
where:
Base-Base interactions energy: -42.493
where: short stacking energy: -42.493
Base-Backbone interact. energy: 0.128
local terms energy: -89.567560
where:
bonds (distance) C4'-P energy: -25.387
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -27.600
flat angles P-C4'-P energy: -17.341
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -426.100363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.100363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.100363 (E_RNA)
where:
Base-Base interactions energy: -278.579
where: short stacking energy: -144.989
Base-Backbone interact. energy: -1.561
local terms energy: -145.959714
where:
bonds (distance) C4'-P energy: -25.847
bonds (distance) P-C4' energy: -26.150
flat angles C4'-P-C4' energy: -30.418
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: -42.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -411.822974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.822974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.822974 (E_RNA)
where:
Base-Base interactions energy: -279.173
where: short stacking energy: -137.236
Base-Backbone interact. energy: -1.760
local terms energy: -130.889837
where:
bonds (distance) C4'-P energy: -23.144
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -29.946
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -41.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -361.801435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.801435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.801435 (E_RNA)
where:
Base-Base interactions energy: -241.499
where: short stacking energy: -137.199
Base-Backbone interact. energy: -0.602
local terms energy: -119.700053
where:
bonds (distance) C4'-P energy: -24.172
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -26.266
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -36.778
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: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -332.443951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.443951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.443951 (E_RNA)
where:
Base-Base interactions energy: -210.056
where: short stacking energy: -111.761
Base-Backbone interact. energy: -0.692
local terms energy: -121.696253
where:
bonds (distance) C4'-P energy: -22.976
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -29.697
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -31.125
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: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -336.909634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.909634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.909634 (E_RNA)
where:
Base-Base interactions energy: -220.037
where: short stacking energy: -117.445
Base-Backbone interact. energy: -0.120
local terms energy: -116.752860
where:
bonds (distance) C4'-P energy: -24.952
bonds (distance) P-C4' energy: -19.183
flat angles C4'-P-C4' energy: -25.542
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -31.351
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: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -248.831916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.831916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.831916 (E_RNA)
where:
Base-Base interactions energy: -163.867
where: short stacking energy: -68.600
Base-Backbone interact. energy: -1.513
local terms energy: -83.452368
where:
bonds (distance) C4'-P energy: -23.812
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -7.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -273.254599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.254599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.254599 (E_RNA)
where:
Base-Base interactions energy: -166.507
where: short stacking energy: -84.363
Base-Backbone interact. energy: 0.112
local terms energy: -106.859874
where:
bonds (distance) C4'-P energy: -24.236
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -26.552
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -21.285
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: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -126.031523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.031523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.031523 (E_RNA)
where:
Base-Base interactions energy: -34.155
where: short stacking energy: -30.825
Base-Backbone interact. energy: -0.919
local terms energy: -90.957105
where:
bonds (distance) C4'-P energy: -31.306
bonds (distance) P-C4' energy: -23.799
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -19.463
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: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -128.735416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.735416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.735416 (E_RNA)
where:
Base-Base interactions energy: -49.801
where: short stacking energy: -43.939
Base-Backbone interact. energy: -0.735
local terms energy: -78.199127
where:
bonds (distance) C4'-P energy: -20.258
bonds (distance) P-C4' energy: -21.766
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -12.691
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: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -135.070140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.070140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.070140 (E_RNA)
where:
Base-Base interactions energy: -60.456
where: short stacking energy: -53.047
Base-Backbone interact. energy: -0.786
local terms energy: -73.827581
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -7.095
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -426.688250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.688250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.688250 (E_RNA)
where:
Base-Base interactions energy: -282.197
where: short stacking energy: -142.554
Base-Backbone interact. energy: -0.978
local terms energy: -143.513261
where:
bonds (distance) C4'-P energy: -27.448
bonds (distance) P-C4' energy: -30.170
flat angles C4'-P-C4' energy: -23.893
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: -42.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -404.041131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.041131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.041131 (E_RNA)
where:
Base-Base interactions energy: -264.874
where: short stacking energy: -124.241
Base-Backbone interact. energy: -1.071
local terms energy: -138.096657
where:
bonds (distance) C4'-P energy: -28.356
bonds (distance) P-C4' energy: -26.035
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -19.515
tors. eta vs tors. theta energy: -36.146
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: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -370.755215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.755215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.755215 (E_RNA)
where:
Base-Base interactions energy: -232.111
where: short stacking energy: -136.437
Base-Backbone interact. energy: -0.002
local terms energy: -138.641574
where:
bonds (distance) C4'-P energy: -27.589
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -27.621
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -37.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -346.776964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.776964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.776964 (E_RNA)
where:
Base-Base interactions energy: -219.856
where: short stacking energy: -112.265
Base-Backbone interact. energy: -4.049
local terms energy: -122.871555
where:
bonds (distance) C4'-P energy: -21.226
bonds (distance) P-C4' energy: -27.074
flat angles C4'-P-C4' energy: -25.727
flat angles P-C4'-P energy: -16.891
tors. eta vs tors. theta energy: -31.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -260.915099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.915099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.915099 (E_RNA)
where:
Base-Base interactions energy: -150.395
where: short stacking energy: -76.528
Base-Backbone interact. energy: -0.131
local terms energy: -110.388752
where:
bonds (distance) C4'-P energy: -23.948
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -24.934
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -15.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -300.158259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.158259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.158259 (E_RNA)
where:
Base-Base interactions energy: -188.230
where: short stacking energy: -93.220
Base-Backbone interact. energy: -1.236
local terms energy: -110.692389
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -24.121
flat angles C4'-P-C4' energy: -25.620
flat angles P-C4'-P energy: -18.291
tors. eta vs tors. theta energy: -21.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -293.998704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.998704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.998704 (E_RNA)
where:
Base-Base interactions energy: -183.135
where: short stacking energy: -110.478
Base-Backbone interact. energy: -0.026
local terms energy: -110.837229
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -29.423
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -27.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -145.406043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.406043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.406043 (E_RNA)
where:
Base-Base interactions energy: -61.392
where: short stacking energy: -62.092
Base-Backbone interact. energy: -0.764
local terms energy: -83.250305
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -25.817
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -5.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -133.364109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.364109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.364109 (E_RNA)
where:
Base-Base interactions energy: -57.412
where: short stacking energy: -57.404
Base-Backbone interact. energy: -0.150
local terms energy: -75.801960
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -23.114
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -5.015
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: 302
Temperature: 1.350000
Total energy: -133.021992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.021992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.021992 (E_RNA)
where:
Base-Base interactions energy: -55.489
where: short stacking energy: -44.852
Base-Backbone interact. energy: -0.264
local terms energy: -77.268609
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -24.675
flat angles C4'-P-C4' energy: -24.503
flat angles P-C4'-P energy: -8.677
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -430.510998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.510998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.510998 (E_RNA)
where:
Base-Base interactions energy: -293.244
where: short stacking energy: -147.743
Base-Backbone interact. energy: -1.226
local terms energy: -136.040503
where:
bonds (distance) C4'-P energy: -24.249
bonds (distance) P-C4' energy: -24.621
flat angles C4'-P-C4' energy: -26.811
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -43.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -405.711262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.711262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.711262 (E_RNA)
where:
Base-Base interactions energy: -277.803
where: short stacking energy: -133.064
Base-Backbone interact. energy: -0.418
local terms energy: -127.490250
where:
bonds (distance) C4'-P energy: -30.123
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -25.497
flat angles P-C4'-P energy: -18.038
tors. eta vs tors. theta energy: -31.330
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: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -357.925854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.925854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.925854 (E_RNA)
where:
Base-Base interactions energy: -232.676
where: short stacking energy: -132.006
Base-Backbone interact. energy: -1.786
local terms energy: -123.464182
where:
bonds (distance) C4'-P energy: -22.788
bonds (distance) P-C4' energy: -25.203
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -17.837
tors. eta vs tors. theta energy: -35.759
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: 1
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -349.171906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.171906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.171906 (E_RNA)
where:
Base-Base interactions energy: -226.661
where: short stacking energy: -130.159
Base-Backbone interact. energy: -0.051
local terms energy: -122.459812
where:
bonds (distance) C4'-P energy: -23.715
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -27.112
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -38.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -285.813051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.813051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.813051 (E_RNA)
where:
Base-Base interactions energy: -172.838
where: short stacking energy: -87.984
Base-Backbone interact. energy: -1.030
local terms energy: -111.945541
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -26.288
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -28.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -307.929696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.929696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.929696 (E_RNA)
where:
Base-Base interactions energy: -184.012
where: short stacking energy: -103.055
Base-Backbone interact. energy: -1.047
local terms energy: -122.870590
where:
bonds (distance) C4'-P energy: -23.265
bonds (distance) P-C4' energy: -25.740
flat angles C4'-P-C4' energy: -29.733
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -29.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -284.130914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.130914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.130914 (E_RNA)
where:
Base-Base interactions energy: -168.477
where: short stacking energy: -99.213
Base-Backbone interact. energy: -0.398
local terms energy: -115.256320
where:
bonds (distance) C4'-P energy: -24.028
bonds (distance) P-C4' energy: -24.884
flat angles C4'-P-C4' energy: -26.365
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -24.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -169.181315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.181315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.181315 (E_RNA)
where:
Base-Base interactions energy: -73.074
where: short stacking energy: -58.697
Base-Backbone interact. energy: -0.441
local terms energy: -95.666435
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -27.888
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -18.767
tors. eta vs tors. theta energy: -11.828
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: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -138.932993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.932993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.932993 (E_RNA)
where:
Base-Base interactions energy: -55.225
where: short stacking energy: -55.225
Base-Backbone interact. energy: 0.840
local terms energy: -84.548003
where:
bonds (distance) C4'-P energy: -21.425
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -15.815
tors. eta vs tors. theta energy: -6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -125.963200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.963200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.963200 (E_RNA)
where:
Base-Base interactions energy: -54.776
where: short stacking energy: -54.776
Base-Backbone interact. energy: -0.207
local terms energy: -70.980181
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -19.354
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -2.672
tors. eta vs tors. theta energy: -7.473
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -425.925896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.925896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.925896 (E_RNA)
where:
Base-Base interactions energy: -287.326
where: short stacking energy: -144.339
Base-Backbone interact. energy: -0.612
local terms energy: -137.988794
where:
bonds (distance) C4'-P energy: -19.450
bonds (distance) P-C4' energy: -29.768
flat angles C4'-P-C4' energy: -28.944
flat angles P-C4'-P energy: -19.303
tors. eta vs tors. theta energy: -40.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -413.950625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.950625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.950625 (E_RNA)
where:
Base-Base interactions energy: -283.637
where: short stacking energy: -127.700
Base-Backbone interact. energy: -0.051
local terms energy: -130.262846
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -30.014
flat angles C4'-P-C4' energy: -27.820
flat angles P-C4'-P energy: -21.156
tors. eta vs tors. theta energy: -32.902
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: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -355.621277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.621277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.621277 (E_RNA)
where:
Base-Base interactions energy: -228.161
where: short stacking energy: -122.685
Base-Backbone interact. energy: -0.399
local terms energy: -127.061379
where:
bonds (distance) C4'-P energy: -23.764
bonds (distance) P-C4' energy: -27.609
flat angles C4'-P-C4' energy: -24.302
flat angles P-C4'-P energy: -18.554
tors. eta vs tors. theta energy: -32.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -334.867237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.867237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.867237 (E_RNA)
where:
Base-Base interactions energy: -215.040
where: short stacking energy: -108.506
Base-Backbone interact. energy: -0.063
local terms energy: -119.764211
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -23.005
flat angles C4'-P-C4' energy: -27.770
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -30.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -314.758500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.758500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.758500 (E_RNA)
where:
Base-Base interactions energy: -194.634
where: short stacking energy: -97.215
Base-Backbone interact. energy: 1.175
local terms energy: -121.300257
where:
bonds (distance) C4'-P energy: -26.505
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -31.188
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -26.661
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: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -261.105406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.105406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.105406 (E_RNA)
where:
Base-Base interactions energy: -159.276
where: short stacking energy: -77.857
Base-Backbone interact. energy: 2.417
local terms energy: -104.245940
where:
bonds (distance) C4'-P energy: -23.542
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -27.141
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -23.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -281.163636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.163636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.163636 (E_RNA)
where:
Base-Base interactions energy: -172.345
where: short stacking energy: -97.277
Base-Backbone interact. energy: -0.021
local terms energy: -108.797559
where:
bonds (distance) C4'-P energy: -22.100
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -23.476
flat angles P-C4'-P energy: -17.323
tors. eta vs tors. theta energy: -23.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -135.925017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.925017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.925017 (E_RNA)
where:
Base-Base interactions energy: -46.184
where: short stacking energy: -41.526
Base-Backbone interact. energy: 1.052
local terms energy: -90.793656
where:
bonds (distance) C4'-P energy: -25.951
bonds (distance) P-C4' energy: -28.657
flat angles C4'-P-C4' energy: -24.893
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -0.248
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: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -133.587273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.587273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.587273 (E_RNA)
where:
Base-Base interactions energy: -47.218
where: short stacking energy: -43.714
Base-Backbone interact. energy: -0.746
local terms energy: -85.623565
where:
bonds (distance) C4'-P energy: -24.327
bonds (distance) P-C4' energy: -20.544
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -17.818
tors. eta vs tors. theta energy: -7.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -129.222039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.222039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.222039 (E_RNA)
where:
Base-Base interactions energy: -49.170
where: short stacking energy: -49.670
Base-Backbone interact. energy: -0.339
local terms energy: -79.712891
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -24.145
flat angles C4'-P-C4' energy: -22.609
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -4.186
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -431.864191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.864191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.864191 (E_RNA)
where:
Base-Base interactions energy: -285.516
where: short stacking energy: -142.004
Base-Backbone interact. energy: -1.234
local terms energy: -145.113325
where:
bonds (distance) C4'-P energy: -23.022
bonds (distance) P-C4' energy: -28.382
flat angles C4'-P-C4' energy: -30.920
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -45.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -399.906017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.906017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.906017 (E_RNA)
where:
Base-Base interactions energy: -260.164
where: short stacking energy: -121.497
Base-Backbone interact. energy: -2.245
local terms energy: -137.496988
where:
bonds (distance) C4'-P energy: -24.751
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -30.572
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: -37.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -364.135498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.135498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.135498 (E_RNA)
where:
Base-Base interactions energy: -222.894
where: short stacking energy: -130.837
Base-Backbone interact. energy: -0.158
local terms energy: -141.083288
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -27.829
flat angles C4'-P-C4' energy: -31.462
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -39.590
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: 1
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -351.154379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.154379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.154379 (E_RNA)
where:
Base-Base interactions energy: -217.650
where: short stacking energy: -128.833
Base-Backbone interact. energy: -0.099
local terms energy: -133.405773
where:
bonds (distance) C4'-P energy: -26.180
bonds (distance) P-C4' energy: -29.747
flat angles C4'-P-C4' energy: -25.058
flat angles P-C4'-P energy: -17.932
tors. eta vs tors. theta energy: -34.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -286.575582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.575582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.575582 (E_RNA)
where:
Base-Base interactions energy: -176.534
where: short stacking energy: -92.297
Base-Backbone interact. energy: -0.630
local terms energy: -109.411792
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -24.780
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -25.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -293.116389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.116389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.116389 (E_RNA)
where:
Base-Base interactions energy: -182.813
where: short stacking energy: -101.249
Base-Backbone interact. energy: -0.055
local terms energy: -110.247868
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -23.979
flat angles C4'-P-C4' energy: -26.782
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -24.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -243.536748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.536748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.536748 (E_RNA)
where:
Base-Base interactions energy: -144.079
where: short stacking energy: -86.070
Base-Backbone interact. energy: -0.129
local terms energy: -99.328248
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -24.923
flat angles C4'-P-C4' energy: -26.207
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -149.816893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.816893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.816893 (E_RNA)
where:
Base-Base interactions energy: -66.591
where: short stacking energy: -57.097
Base-Backbone interact. energy: -0.764
local terms energy: -82.461589
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -28.219
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -16.346
tors. eta vs tors. theta energy: -0.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -145.229212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.229212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.229212 (E_RNA)
where:
Base-Base interactions energy: -57.619
where: short stacking energy: -57.619
Base-Backbone interact. energy: -0.095
local terms energy: -87.514829
where:
bonds (distance) C4'-P energy: -26.543
bonds (distance) P-C4' energy: -26.449
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -3.905
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: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -131.003588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.003588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.003588 (E_RNA)
where:
Base-Base interactions energy: -48.007
where: short stacking energy: -47.520
Base-Backbone interact. energy: -0.212
local terms energy: -82.783827
where:
bonds (distance) C4'-P energy: -21.321
bonds (distance) P-C4' energy: -30.095
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -12.738
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -410.633925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.633925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.633925 (E_RNA)
where:
Base-Base interactions energy: -272.835
where: short stacking energy: -130.489
Base-Backbone interact. energy: -0.563
local terms energy: -137.236024
where:
bonds (distance) C4'-P energy: -29.617
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -25.151
flat angles P-C4'-P energy: -23.400
tors. eta vs tors. theta energy: -35.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -424.409765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.409765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.409765 (E_RNA)
where:
Base-Base interactions energy: -272.554
where: short stacking energy: -140.571
Base-Backbone interact. energy: -0.876
local terms energy: -150.979751
where:
bonds (distance) C4'-P energy: -25.555
bonds (distance) P-C4' energy: -27.309
flat angles C4'-P-C4' energy: -32.170
flat angles P-C4'-P energy: -22.937
tors. eta vs tors. theta energy: -43.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -354.434617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.434617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.434617 (E_RNA)
where:
Base-Base interactions energy: -221.197
where: short stacking energy: -116.828
Base-Backbone interact. energy: -0.669
local terms energy: -132.568282
where:
bonds (distance) C4'-P energy: -25.433
bonds (distance) P-C4' energy: -30.618
flat angles C4'-P-C4' energy: -27.720
flat angles P-C4'-P energy: -17.792
tors. eta vs tors. theta energy: -31.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -327.875131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.875131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.875131 (E_RNA)
where:
Base-Base interactions energy: -210.081
where: short stacking energy: -116.996
Base-Backbone interact. energy: -0.381
local terms energy: -117.413409
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -25.477
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -17.361
tors. eta vs tors. theta energy: -29.679
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: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -284.958731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.958731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.958731 (E_RNA)
where:
Base-Base interactions energy: -167.954
where: short stacking energy: -96.904
Base-Backbone interact. energy: -0.144
local terms energy: -116.860918
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -24.434
flat angles C4'-P-C4' energy: -25.857
flat angles P-C4'-P energy: -20.068
tors. eta vs tors. theta energy: -21.111
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: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -282.885283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.885283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.885283 (E_RNA)
where:
Base-Base interactions energy: -162.161
where: short stacking energy: -89.775
Base-Backbone interact. energy: -1.067
local terms energy: -119.657362
where:
bonds (distance) C4'-P energy: -25.938
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -29.580
flat angles P-C4'-P energy: -17.978
tors. eta vs tors. theta energy: -24.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -249.472325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.472325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.472325 (E_RNA)
where:
Base-Base interactions energy: -136.361
where: short stacking energy: -79.700
Base-Backbone interact. energy: -0.714
local terms energy: -112.396700
where:
bonds (distance) C4'-P energy: -23.072
bonds (distance) P-C4' energy: -28.765
flat angles C4'-P-C4' energy: -27.116
flat angles P-C4'-P energy: -16.603
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: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -146.556446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.556446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.556446 (E_RNA)
where:
Base-Base interactions energy: -57.727
where: short stacking energy: -49.562
Base-Backbone interact. energy: -0.787
local terms energy: -88.042236
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -29.071
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -15.815
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: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -154.736808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.736808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.736808 (E_RNA)
where:
Base-Base interactions energy: -63.960
where: short stacking energy: -63.954
Base-Backbone interact. energy: -0.366
local terms energy: -90.410606
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -26.262
flat angles C4'-P-C4' energy: -25.795
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -8.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -139.337945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.337945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.337945 (E_RNA)
where:
Base-Base interactions energy: -57.957
where: short stacking energy: -53.107
Base-Backbone interact. energy: 1.149
local terms energy: -82.530018
where:
bonds (distance) C4'-P energy: -27.759
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -3.830
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -415.876288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.876288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.876288 (E_RNA)
where:
Base-Base interactions energy: -276.051
where: short stacking energy: -135.990
Base-Backbone interact. energy: -0.881
local terms energy: -138.945266
where:
bonds (distance) C4'-P energy: -25.351
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -26.314
flat angles P-C4'-P energy: -19.822
tors. eta vs tors. theta energy: -40.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -426.193594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.193594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.193594 (E_RNA)
where:
Base-Base interactions energy: -277.941
where: short stacking energy: -130.810
Base-Backbone interact. energy: -0.575
local terms energy: -147.677260
where:
bonds (distance) C4'-P energy: -26.469
bonds (distance) P-C4' energy: -26.297
flat angles C4'-P-C4' energy: -30.016
flat angles P-C4'-P energy: -20.000
tors. eta vs tors. theta energy: -44.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -355.059057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.059057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.059057 (E_RNA)
where:
Base-Base interactions energy: -223.448
where: short stacking energy: -121.176
Base-Backbone interact. energy: -0.707
local terms energy: -130.903238
where:
bonds (distance) C4'-P energy: -23.905
bonds (distance) P-C4' energy: -26.149
flat angles C4'-P-C4' energy: -26.381
flat angles P-C4'-P energy: -22.223
tors. eta vs tors. theta energy: -32.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -333.975291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.975291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.975291 (E_RNA)
where:
Base-Base interactions energy: -196.453
where: short stacking energy: -104.147
Base-Backbone interact. energy: -0.110
local terms energy: -137.411474
where:
bonds (distance) C4'-P energy: -31.137
bonds (distance) P-C4' energy: -24.822
flat angles C4'-P-C4' energy: -30.987
flat angles P-C4'-P energy: -20.961
tors. eta vs tors. theta energy: -29.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -298.390710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.390710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.390710 (E_RNA)
where:
Base-Base interactions energy: -183.941
where: short stacking energy: -103.551
Base-Backbone interact. energy: 2.096
local terms energy: -116.545840
where:
bonds (distance) C4'-P energy: -26.378
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -26.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -282.125266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.125266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.125266 (E_RNA)
where:
Base-Base interactions energy: -177.993
where: short stacking energy: -94.448
Base-Backbone interact. energy: -0.477
local terms energy: -103.654759
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -25.914
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -24.876
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: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -246.945128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.945128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.945128 (E_RNA)
where:
Base-Base interactions energy: -142.671
where: short stacking energy: -84.446
Base-Backbone interact. energy: -0.042
local terms energy: -104.232302
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -28.965
flat angles C4'-P-C4' energy: -21.976
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -142.562609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.562609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.562609 (E_RNA)
where:
Base-Base interactions energy: -54.556
where: short stacking energy: -48.085
Base-Backbone interact. energy: -0.391
local terms energy: -87.615639
where:
bonds (distance) C4'-P energy: -23.932
bonds (distance) P-C4' energy: -22.678
flat angles C4'-P-C4' energy: -24.771
flat angles P-C4'-P energy: -15.574
tors. eta vs tors. theta energy: -0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -133.425226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.425226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.425226 (E_RNA)
where:
Base-Base interactions energy: -51.975
where: short stacking energy: -49.969
Base-Backbone interact. energy: -0.478
local terms energy: -80.972394
where:
bonds (distance) C4'-P energy: -21.744
bonds (distance) P-C4' energy: -22.439
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -127.801854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.801854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.801854 (E_RNA)
where:
Base-Base interactions energy: -51.258
where: short stacking energy: -39.567
Base-Backbone interact. energy: -0.388
local terms energy: -76.155971
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -2.497
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -433.540315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.540315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.540315 (E_RNA)
where:
Base-Base interactions energy: -288.124
where: short stacking energy: -149.552
Base-Backbone interact. energy: -0.956
local terms energy: -144.460802
where:
bonds (distance) C4'-P energy: -23.426
bonds (distance) P-C4' energy: -27.471
flat angles C4'-P-C4' energy: -30.132
flat angles P-C4'-P energy: -17.281
tors. eta vs tors. theta energy: -46.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -413.113291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.113291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.113291 (E_RNA)
where:
Base-Base interactions energy: -282.974
where: short stacking energy: -141.396
Base-Backbone interact. energy: -0.055
local terms energy: -130.084901
where:
bonds (distance) C4'-P energy: -22.664
bonds (distance) P-C4' energy: -23.879
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -20.236
tors. eta vs tors. theta energy: -40.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -345.000997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.000997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.000997 (E_RNA)
where:
Base-Base interactions energy: -222.423
where: short stacking energy: -126.716
Base-Backbone interact. energy: -0.418
local terms energy: -122.160352
where:
bonds (distance) C4'-P energy: -23.780
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -23.129
flat angles P-C4'-P energy: -19.368
tors. eta vs tors. theta energy: -34.060
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: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -340.713229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.713229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.713229 (E_RNA)
where:
Base-Base interactions energy: -216.654
where: short stacking energy: -113.895
Base-Backbone interact. energy: -0.331
local terms energy: -123.728165
where:
bonds (distance) C4'-P energy: -23.789
bonds (distance) P-C4' energy: -24.076
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -33.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -292.569252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.569252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.569252 (E_RNA)
where:
Base-Base interactions energy: -171.995
where: short stacking energy: -97.627
Base-Backbone interact. energy: -0.282
local terms energy: -120.291759
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -20.801
flat angles C4'-P-C4' energy: -29.435
flat angles P-C4'-P energy: -21.252
tors. eta vs tors. theta energy: -29.633
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: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -273.247755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.247755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.247755 (E_RNA)
where:
Base-Base interactions energy: -177.097
where: short stacking energy: -86.774
Base-Backbone interact. energy: 3.323
local terms energy: -99.472921
where:
bonds (distance) C4'-P energy: -26.216
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -20.345
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: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -240.370562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.370562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.370562 (E_RNA)
where:
Base-Base interactions energy: -129.611
where: short stacking energy: -74.314
Base-Backbone interact. energy: -0.716
local terms energy: -110.043756
where:
bonds (distance) C4'-P energy: -17.953
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -28.003
flat angles P-C4'-P energy: -18.196
tors. eta vs tors. theta energy: -23.456
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: 7
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -150.869125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.869125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.869125 (E_RNA)
where:
Base-Base interactions energy: -63.188
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.898
local terms energy: -86.783842
where:
bonds (distance) C4'-P energy: -26.301
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -15.930
tors. eta vs tors. theta energy: -8.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -132.128231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.128231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.128231 (E_RNA)
where:
Base-Base interactions energy: -46.968
where: short stacking energy: -45.321
Base-Backbone interact. energy: 0.032
local terms energy: -85.191902
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -24.952
flat angles C4'-P-C4' energy: -23.833
flat angles P-C4'-P energy: -13.626
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: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -127.201512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.201512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.201512 (E_RNA)
where:
Base-Base interactions energy: -42.428
where: short stacking energy: -42.428
Base-Backbone interact. energy: 0.425
local terms energy: -85.198539
where:
bonds (distance) C4'-P energy: -26.960
bonds (distance) P-C4' energy: -24.703
flat angles C4'-P-C4' energy: -23.140
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -0.866
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -430.616276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.616276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.616276 (E_RNA)
where:
Base-Base interactions energy: -292.416
where: short stacking energy: -146.875
Base-Backbone interact. energy: -0.724
local terms energy: -137.476889
where:
bonds (distance) C4'-P energy: -23.095
bonds (distance) P-C4' energy: -22.526
flat angles C4'-P-C4' energy: -28.254
flat angles P-C4'-P energy: -20.549
tors. eta vs tors. theta energy: -43.053
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: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -408.416138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.416138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.416138 (E_RNA)
where:
Base-Base interactions energy: -280.845
where: short stacking energy: -133.371
Base-Backbone interact. energy: -0.948
local terms energy: -126.623341
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -24.345
flat angles C4'-P-C4' energy: -27.420
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -39.344
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: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -338.680904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.680904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.680904 (E_RNA)
where:
Base-Base interactions energy: -211.980
where: short stacking energy: -109.498
Base-Backbone interact. energy: -0.554
local terms energy: -126.146350
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -27.874
flat angles C4'-P-C4' energy: -27.376
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -33.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -349.992847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.992847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.992847 (E_RNA)
where:
Base-Base interactions energy: -228.847
where: short stacking energy: -132.221
Base-Backbone interact. energy: -0.109
local terms energy: -121.036803
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -24.013
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -35.724
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: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -297.438534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.438534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.438534 (E_RNA)
where:
Base-Base interactions energy: -176.269
where: short stacking energy: -96.082
Base-Backbone interact. energy: -0.641
local terms energy: -120.528436
where:
bonds (distance) C4'-P energy: -22.464
bonds (distance) P-C4' energy: -25.641
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -17.086
tors. eta vs tors. theta energy: -33.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -279.926578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.926578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.926578 (E_RNA)
where:
Base-Base interactions energy: -160.340
where: short stacking energy: -99.657
Base-Backbone interact. energy: 1.033
local terms energy: -120.619289
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -21.902
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -30.234
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: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -238.936114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.936114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.936114 (E_RNA)
where:
Base-Base interactions energy: -131.677
where: short stacking energy: -69.966
Base-Backbone interact. energy: -1.438
local terms energy: -105.821029
where:
bonds (distance) C4'-P energy: -25.126
bonds (distance) P-C4' energy: -24.523
flat angles C4'-P-C4' energy: -24.719
flat angles P-C4'-P energy: -17.368
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: 8, replica: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -149.480854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.480854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.480854 (E_RNA)
where:
Base-Base interactions energy: -67.909
where: short stacking energy: -58.535
Base-Backbone interact. energy: -0.310
local terms energy: -81.262311
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -22.876
flat angles C4'-P-C4' energy: -18.466
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -149.667783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.667783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.667783 (E_RNA)
where:
Base-Base interactions energy: -68.292
where: short stacking energy: -54.806
Base-Backbone interact. energy: 0.084
local terms energy: -81.460303
where:
bonds (distance) C4'-P energy: -21.707
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -5.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -134.882055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.882055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.882055 (E_RNA)
where:
Base-Base interactions energy: -58.091
where: short stacking energy: -48.856
Base-Backbone interact. energy: -1.897
local terms energy: -74.893995
where:
bonds (distance) C4'-P energy: -25.755
bonds (distance) P-C4' energy: -22.151
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -5.758
tors. eta vs tors. theta energy: -1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -413.540376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.540376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.540376 (E_RNA)
where:
Base-Base interactions energy: -274.859
where: short stacking energy: -132.549
Base-Backbone interact. energy: -0.665
local terms energy: -138.016537
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -26.441
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -20.350
tors. eta vs tors. theta energy: -39.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -406.522510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.522510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.522510 (E_RNA)
where:
Base-Base interactions energy: -267.721
where: short stacking energy: -125.749
Base-Backbone interact. energy: -0.926
local terms energy: -137.875174
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -27.403
flat angles C4'-P-C4' energy: -30.482
flat angles P-C4'-P energy: -17.351
tors. eta vs tors. theta energy: -39.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -339.769194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.769194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.769194 (E_RNA)
where:
Base-Base interactions energy: -214.588
where: short stacking energy: -117.584
Base-Backbone interact. energy: -0.175
local terms energy: -125.006585
where:
bonds (distance) C4'-P energy: -22.076
bonds (distance) P-C4' energy: -28.093
flat angles C4'-P-C4' energy: -26.733
flat angles P-C4'-P energy: -17.541
tors. eta vs tors. theta energy: -30.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -351.711202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.711202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.711202 (E_RNA)
where:
Base-Base interactions energy: -224.716
where: short stacking energy: -110.130
Base-Backbone interact. energy: -0.563
local terms energy: -126.431928
where:
bonds (distance) C4'-P energy: -21.251
bonds (distance) P-C4' energy: -28.492
flat angles C4'-P-C4' energy: -29.744
flat angles P-C4'-P energy: -16.803
tors. eta vs tors. theta energy: -30.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -322.285671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.285671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.285671 (E_RNA)
where:
Base-Base interactions energy: -196.256
where: short stacking energy: -110.106
Base-Backbone interact. energy: -0.125
local terms energy: -125.904722
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -25.748
flat angles C4'-P-C4' energy: -27.237
flat angles P-C4'-P energy: -18.576
tors. eta vs tors. theta energy: -27.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -278.600700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.600700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.600700 (E_RNA)
where:
Base-Base interactions energy: -168.599
where: short stacking energy: -87.290
Base-Backbone interact. energy: -1.172
local terms energy: -108.830528
where:
bonds (distance) C4'-P energy: -22.779
bonds (distance) P-C4' energy: -29.417
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -17.420
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -254.521710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.521710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.521710 (E_RNA)
where:
Base-Base interactions energy: -145.648
where: short stacking energy: -93.856
Base-Backbone interact. energy: -0.788
local terms energy: -108.085555
where:
bonds (distance) C4'-P energy: -19.227
bonds (distance) P-C4' energy: -25.366
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -20.043
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -142.378756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.378756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.378756 (E_RNA)
where:
Base-Base interactions energy: -61.254
where: short stacking energy: -56.619
Base-Backbone interact. energy: -0.538
local terms energy: -80.587107
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -25.185
flat angles P-C4'-P energy: -15.236
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: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -132.123032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.123032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.123032 (E_RNA)
where:
Base-Base interactions energy: -48.772
where: short stacking energy: -44.337
Base-Backbone interact. energy: -0.707
local terms energy: -82.644268
where:
bonds (distance) C4'-P energy: -23.806
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -23.417
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -136.862470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.862470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.862470 (E_RNA)
where:
Base-Base interactions energy: -55.133
where: short stacking energy: -48.916
Base-Backbone interact. energy: -0.174
local terms energy: -81.554681
where:
bonds (distance) C4'-P energy: -24.594
bonds (distance) P-C4' energy: -24.903
flat angles C4'-P-C4' energy: -21.265
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -408.522416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.522416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.522416 (E_RNA)
where:
Base-Base interactions energy: -268.832
where: short stacking energy: -134.140
Base-Backbone interact. energy: -2.724
local terms energy: -136.966376
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -31.840
flat angles P-C4'-P energy: -18.839
tors. eta vs tors. theta energy: -39.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -411.255852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.255852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.255852 (E_RNA)
where:
Base-Base interactions energy: -279.469
where: short stacking energy: -138.657
Base-Backbone interact. energy: 0.103
local terms energy: -131.890006
where:
bonds (distance) C4'-P energy: -28.366
bonds (distance) P-C4' energy: -23.414
flat angles C4'-P-C4' energy: -27.908
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -37.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -350.272502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.272502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.272502 (E_RNA)
where:
Base-Base interactions energy: -224.496
where: short stacking energy: -126.136
Base-Backbone interact. energy: -1.177
local terms energy: -124.599183
where:
bonds (distance) C4'-P energy: -26.758
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -26.849
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -34.779
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: 1
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -357.493491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.493491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.493491 (E_RNA)
where:
Base-Base interactions energy: -229.390
where: short stacking energy: -121.290
Base-Backbone interact. energy: 0.268
local terms energy: -128.371377
where:
bonds (distance) C4'-P energy: -24.616
bonds (distance) P-C4' energy: -27.014
flat angles C4'-P-C4' energy: -28.981
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -30.042
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: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -301.061335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.061335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.061335 (E_RNA)
where:
Base-Base interactions energy: -185.649
where: short stacking energy: -109.493
Base-Backbone interact. energy: -0.408
local terms energy: -115.004118
where:
bonds (distance) C4'-P energy: -21.946
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -24.629
flat angles P-C4'-P energy: -16.659
tors. eta vs tors. theta energy: -25.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -249.381176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.381176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.381176 (E_RNA)
where:
Base-Base interactions energy: -152.199
where: short stacking energy: -91.664
Base-Backbone interact. energy: -1.555
local terms energy: -95.626529
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -263.795455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.795455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.795455 (E_RNA)
where:
Base-Base interactions energy: -157.769
where: short stacking energy: -88.505
Base-Backbone interact. energy: 0.099
local terms energy: -106.125223
where:
bonds (distance) C4'-P energy: -22.981
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -25.699
flat angles P-C4'-P energy: -17.171
tors. eta vs tors. theta energy: -17.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -151.887199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.887199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.887199 (E_RNA)
where:
Base-Base interactions energy: -64.488
where: short stacking energy: -46.996
Base-Backbone interact. energy: 3.441
local terms energy: -90.839541
where:
bonds (distance) C4'-P energy: -25.646
bonds (distance) P-C4' energy: -22.416
flat angles C4'-P-C4' energy: -27.090
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -2.155
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: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -133.854965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.854965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.854965 (E_RNA)
where:
Base-Base interactions energy: -51.608
where: short stacking energy: -46.095
Base-Backbone interact. energy: -0.238
local terms energy: -82.008240
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: -3.387
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: 311
Temperature: 1.350000
Total energy: -114.225722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.225722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.225722 (E_RNA)
where:
Base-Base interactions energy: -46.873
where: short stacking energy: -38.712
Base-Backbone interact. energy: -0.469
local terms energy: -66.883920
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -26.693
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: 6.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -428.621965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.621965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.621965 (E_RNA)
where:
Base-Base interactions energy: -288.332
where: short stacking energy: -145.454
Base-Backbone interact. energy: -0.415
local terms energy: -139.874893
where:
bonds (distance) C4'-P energy: -24.183
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -32.582
flat angles P-C4'-P energy: -15.949
tors. eta vs tors. theta energy: -40.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -395.318779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.318779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.318779 (E_RNA)
where:
Base-Base interactions energy: -262.974
where: short stacking energy: -119.451
Base-Backbone interact. energy: -0.486
local terms energy: -131.858855
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -22.262
flat angles C4'-P-C4' energy: -26.577
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -40.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -358.975860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.975860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.975860 (E_RNA)
where:
Base-Base interactions energy: -225.298
where: short stacking energy: -130.848
Base-Backbone interact. energy: -0.156
local terms energy: -133.521808
where:
bonds (distance) C4'-P energy: -21.372
bonds (distance) P-C4' energy: -27.340
flat angles C4'-P-C4' energy: -29.180
flat angles P-C4'-P energy: -16.039
tors. eta vs tors. theta energy: -39.591
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: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -341.013691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.013691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.013691 (E_RNA)
where:
Base-Base interactions energy: -211.264
where: short stacking energy: -112.403
Base-Backbone interact. energy: -1.983
local terms energy: -127.767235
where:
bonds (distance) C4'-P energy: -28.885
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -27.042
flat angles P-C4'-P energy: -19.939
tors. eta vs tors. theta energy: -30.791
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: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -294.206752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.206752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.206752 (E_RNA)
where:
Base-Base interactions energy: -175.228
where: short stacking energy: -99.887
Base-Backbone interact. energy: -1.178
local terms energy: -117.801281
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -27.740
flat angles C4'-P-C4' energy: -22.059
flat angles P-C4'-P energy: -17.773
tors. eta vs tors. theta energy: -30.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -245.574644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.574644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.574644 (E_RNA)
where:
Base-Base interactions energy: -140.383
where: short stacking energy: -86.381
Base-Backbone interact. energy: -0.143
local terms energy: -105.048941
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -26.487
flat angles C4'-P-C4' energy: -20.472
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -24.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -263.577329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.577329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.577329 (E_RNA)
where:
Base-Base interactions energy: -165.702
where: short stacking energy: -94.228
Base-Backbone interact. energy: -0.109
local terms energy: -97.765690
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -23.855
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -21.268
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: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -138.149332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.149332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.149332 (E_RNA)
where:
Base-Base interactions energy: -56.145
where: short stacking energy: -47.734
Base-Backbone interact. energy: -0.898
local terms energy: -81.106268
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -25.338
flat angles C4'-P-C4' energy: -23.135
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -6.231
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: 312
Temperature: 1.300000
Total energy: -140.457793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.457793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.457793 (E_RNA)
where:
Base-Base interactions energy: -49.667
where: short stacking energy: -48.516
Base-Backbone interact. energy: -0.202
local terms energy: -90.588944
where:
bonds (distance) C4'-P energy: -27.048
bonds (distance) P-C4' energy: -23.482
flat angles C4'-P-C4' energy: -24.889
flat angles P-C4'-P energy: -13.598
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: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -118.191532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.191532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.191532 (E_RNA)
where:
Base-Base interactions energy: -37.634
where: short stacking energy: -29.651
Base-Backbone interact. energy: -1.661
local terms energy: -78.896616
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -22.358
flat angles P-C4'-P energy: -11.727
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -429.448068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.448068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.448068 (E_RNA)
where:
Base-Base interactions energy: -282.692
where: short stacking energy: -139.572
Base-Backbone interact. energy: -0.000
local terms energy: -146.755316
where:
bonds (distance) C4'-P energy: -24.820
bonds (distance) P-C4' energy: -29.599
flat angles C4'-P-C4' energy: -27.314
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -41.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -386.136226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.136226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.136226 (E_RNA)
where:
Base-Base interactions energy: -249.659
where: short stacking energy: -116.740
Base-Backbone interact. energy: -1.223
local terms energy: -135.253964
where:
bonds (distance) C4'-P energy: -27.714
bonds (distance) P-C4' energy: -27.646
flat angles C4'-P-C4' energy: -26.598
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -38.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -363.237468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.237468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.237468 (E_RNA)
where:
Base-Base interactions energy: -230.905
where: short stacking energy: -136.474
Base-Backbone interact. energy: -0.125
local terms energy: -132.207764
where:
bonds (distance) C4'-P energy: -25.135
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -26.179
flat angles P-C4'-P energy: -21.761
tors. eta vs tors. theta energy: -36.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -342.624666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.624666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.624666 (E_RNA)
where:
Base-Base interactions energy: -223.090
where: short stacking energy: -129.408
Base-Backbone interact. energy: -0.276
local terms energy: -119.258389
where:
bonds (distance) C4'-P energy: -27.131
bonds (distance) P-C4' energy: -23.520
flat angles C4'-P-C4' energy: -20.863
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -35.671
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: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -304.415691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.415691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.415691 (E_RNA)
where:
Base-Base interactions energy: -179.561
where: short stacking energy: -96.780
Base-Backbone interact. energy: -0.639
local terms energy: -124.215780
where:
bonds (distance) C4'-P energy: -24.482
bonds (distance) P-C4' energy: -27.855
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -21.161
tors. eta vs tors. theta energy: -28.789
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: 6, replica: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -254.756655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.756655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.756655 (E_RNA)
where:
Base-Base interactions energy: -139.835
where: short stacking energy: -80.400
Base-Backbone interact. energy: -1.512
local terms energy: -113.409481
where:
bonds (distance) C4'-P energy: -23.947
bonds (distance) P-C4' energy: -25.097
flat angles C4'-P-C4' energy: -25.010
flat angles P-C4'-P energy: -15.130
tors. eta vs tors. theta energy: -24.226
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: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -257.196437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.196437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.196437 (E_RNA)
where:
Base-Base interactions energy: -155.989
where: short stacking energy: -88.549
Base-Backbone interact. energy: -0.317
local terms energy: -100.890760
where:
bonds (distance) C4'-P energy: -23.023
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -27.808
flat angles P-C4'-P energy: -17.458
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: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -143.179720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.179720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.179720 (E_RNA)
where:
Base-Base interactions energy: -54.025
where: short stacking energy: -54.125
Base-Backbone interact. energy: -0.082
local terms energy: -89.072969
where:
bonds (distance) C4'-P energy: -24.575
bonds (distance) P-C4' energy: -29.217
flat angles C4'-P-C4' energy: -25.304
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: 0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -140.394617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.394617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.394617 (E_RNA)
where:
Base-Base interactions energy: -52.403
where: short stacking energy: -43.338
Base-Backbone interact. energy: -1.445
local terms energy: -86.547091
where:
bonds (distance) C4'-P energy: -20.498
bonds (distance) P-C4' energy: -30.581
flat angles C4'-P-C4' energy: -22.637
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: 0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -109.694150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.694150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.694150 (E_RNA)
where:
Base-Base interactions energy: -39.677
where: short stacking energy: -38.056
Base-Backbone interact. energy: 0.255
local terms energy: -70.271915
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -26.963
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -13.227
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -424.611195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.611195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.611195 (E_RNA)
where:
Base-Base interactions energy: -286.882
where: short stacking energy: -138.556
Base-Backbone interact. energy: -0.018
local terms energy: -137.711210
where:
bonds (distance) C4'-P energy: -26.670
bonds (distance) P-C4' energy: -23.875
flat angles C4'-P-C4' energy: -27.809
flat angles P-C4'-P energy: -19.173
tors. eta vs tors. theta energy: -40.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -377.591817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.591817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.591817 (E_RNA)
where:
Base-Base interactions energy: -257.905
where: short stacking energy: -126.116
Base-Backbone interact. energy: -0.532
local terms energy: -119.154751
where:
bonds (distance) C4'-P energy: -23.718
bonds (distance) P-C4' energy: -23.381
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -33.068
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: 3, replica: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -353.621055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.621055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.621055 (E_RNA)
where:
Base-Base interactions energy: -226.012
where: short stacking energy: -121.276
Base-Backbone interact. energy: -0.439
local terms energy: -127.170908
where:
bonds (distance) C4'-P energy: -21.959
bonds (distance) P-C4' energy: -26.898
flat angles C4'-P-C4' energy: -28.718
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -33.183
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: 1
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -346.303391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.303391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.303391 (E_RNA)
where:
Base-Base interactions energy: -221.606
where: short stacking energy: -125.433
Base-Backbone interact. energy: -0.670
local terms energy: -124.028162
where:
bonds (distance) C4'-P energy: -21.529
bonds (distance) P-C4' energy: -23.891
flat angles C4'-P-C4' energy: -27.987
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -39.682
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: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -274.955331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.955331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.955331 (E_RNA)
where:
Base-Base interactions energy: -161.244
where: short stacking energy: -99.592
Base-Backbone interact. energy: -0.472
local terms energy: -113.239543
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -27.353
flat angles C4'-P-C4' energy: -27.183
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -22.608
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: 8
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -284.781637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.781637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.781637 (E_RNA)
where:
Base-Base interactions energy: -175.317
where: short stacking energy: -98.225
Base-Backbone interact. energy: 0.237
local terms energy: -109.700961
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -25.211
flat angles P-C4'-P energy: -21.968
tors. eta vs tors. theta energy: -17.480
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: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -264.640726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.640726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.640726 (E_RNA)
where:
Base-Base interactions energy: -157.813
where: short stacking energy: -87.501
Base-Backbone interact. energy: -0.101
local terms energy: -106.726607
where:
bonds (distance) C4'-P energy: -23.845
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -26.194
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -24.648
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: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -136.043393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.043393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.043393 (E_RNA)
where:
Base-Base interactions energy: -48.088
where: short stacking energy: -47.331
Base-Backbone interact. energy: 1.358
local terms energy: -89.313058
where:
bonds (distance) C4'-P energy: -25.627
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -16.491
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: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -134.399382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.399382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.399382 (E_RNA)
where:
Base-Base interactions energy: -53.841
where: short stacking energy: -50.465
Base-Backbone interact. energy: 1.607
local terms energy: -82.165406
where:
bonds (distance) C4'-P energy: -24.005
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -21.312
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: 1.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -122.720687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.720687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.720687 (E_RNA)
where:
Base-Base interactions energy: -52.946
where: short stacking energy: -52.029
Base-Backbone interact. energy: -0.248
local terms energy: -69.527197
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -6.933
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -427.792802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.792802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.792802 (E_RNA)
where:
Base-Base interactions energy: -278.708
where: short stacking energy: -137.298
Base-Backbone interact. energy: -0.968
local terms energy: -148.116440
where:
bonds (distance) C4'-P energy: -23.795
bonds (distance) P-C4' energy: -27.849
flat angles C4'-P-C4' energy: -30.161
flat angles P-C4'-P energy: -21.672
tors. eta vs tors. theta energy: -44.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -378.494215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.494215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.494215 (E_RNA)
where:
Base-Base interactions energy: -253.484
where: short stacking energy: -128.311
Base-Backbone interact. energy: -0.056
local terms energy: -124.953724
where:
bonds (distance) C4'-P energy: -24.045
bonds (distance) P-C4' energy: -25.815
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -34.832
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: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -354.165977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.165977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.165977 (E_RNA)
where:
Base-Base interactions energy: -219.836
where: short stacking energy: -125.235
Base-Backbone interact. energy: -0.203
local terms energy: -134.127367
where:
bonds (distance) C4'-P energy: -21.395
bonds (distance) P-C4' energy: -27.643
flat angles C4'-P-C4' energy: -29.127
flat angles P-C4'-P energy: -20.209
tors. eta vs tors. theta energy: -35.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -344.393447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.393447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.393447 (E_RNA)
where:
Base-Base interactions energy: -214.892
where: short stacking energy: -123.672
Base-Backbone interact. energy: -1.001
local terms energy: -128.500391
where:
bonds (distance) C4'-P energy: -26.718
bonds (distance) P-C4' energy: -25.683
flat angles C4'-P-C4' energy: -27.463
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -36.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -270.874844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.874844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.874844 (E_RNA)
where:
Base-Base interactions energy: -160.199
where: short stacking energy: -95.361
Base-Backbone interact. energy: -1.081
local terms energy: -109.594443
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -25.260
flat angles P-C4'-P energy: -19.540
tors. eta vs tors. theta energy: -24.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -274.589669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.589669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.589669 (E_RNA)
where:
Base-Base interactions energy: -173.914
where: short stacking energy: -90.914
Base-Backbone interact. energy: -0.227
local terms energy: -100.449145
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -24.841
flat angles C4'-P-C4' energy: -24.023
flat angles P-C4'-P energy: -19.313
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -239.167492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.167492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.167492 (E_RNA)
where:
Base-Base interactions energy: -147.082
where: short stacking energy: -79.476
Base-Backbone interact. energy: 0.962
local terms energy: -93.047776
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -22.405
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -20.123
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: 7
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -151.431384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.431384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.431384 (E_RNA)
where:
Base-Base interactions energy: -69.826
where: short stacking energy: -49.069
Base-Backbone interact. energy: -1.674
local terms energy: -79.930756
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -24.383
flat angles C4'-P-C4' energy: -19.636
flat angles P-C4'-P energy: -17.191
tors. eta vs tors. theta energy: -0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -124.102056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.102056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.102056 (E_RNA)
where:
Base-Base interactions energy: -45.083
where: short stacking energy: -41.589
Base-Backbone interact. energy: -0.328
local terms energy: -78.691162
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -0.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -129.443399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.443399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.443399 (E_RNA)
where:
Base-Base interactions energy: -57.466
where: short stacking energy: -53.386
Base-Backbone interact. energy: -0.346
local terms energy: -71.631744
where:
bonds (distance) C4'-P energy: -10.710
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -426.038748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.038748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.038748 (E_RNA)
where:
Base-Base interactions energy: -277.210
where: short stacking energy: -141.936
Base-Backbone interact. energy: -0.002
local terms energy: -148.826717
where:
bonds (distance) C4'-P energy: -25.574
bonds (distance) P-C4' energy: -29.732
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -40.422
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: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -407.570264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.570264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.570264 (E_RNA)
where:
Base-Base interactions energy: -271.676
where: short stacking energy: -122.755
Base-Backbone interact. energy: -0.293
local terms energy: -135.602010
where:
bonds (distance) C4'-P energy: -25.416
bonds (distance) P-C4' energy: -29.186
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -40.101
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: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -347.698599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.698599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.698599 (E_RNA)
where:
Base-Base interactions energy: -220.130
where: short stacking energy: -112.234
Base-Backbone interact. energy: -0.687
local terms energy: -126.881763
where:
bonds (distance) C4'-P energy: -23.243
bonds (distance) P-C4' energy: -28.356
flat angles C4'-P-C4' energy: -27.649
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -28.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -336.777569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.777569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.777569 (E_RNA)
where:
Base-Base interactions energy: -203.618
where: short stacking energy: -101.460
Base-Backbone interact. energy: -0.026
local terms energy: -133.133555
where:
bonds (distance) C4'-P energy: -25.462
bonds (distance) P-C4' energy: -27.361
flat angles C4'-P-C4' energy: -29.409
flat angles P-C4'-P energy: -18.307
tors. eta vs tors. theta energy: -32.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -285.155420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.155420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.155420 (E_RNA)
where:
Base-Base interactions energy: -171.797
where: short stacking energy: -95.168
Base-Backbone interact. energy: -1.314
local terms energy: -112.044128
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -23.171
flat angles C4'-P-C4' energy: -25.170
flat angles P-C4'-P energy: -18.514
tors. eta vs tors. theta energy: -23.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -254.670510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.670510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.670510 (E_RNA)
where:
Base-Base interactions energy: -152.551
where: short stacking energy: -95.814
Base-Backbone interact. energy: 0.508
local terms energy: -102.628022
where:
bonds (distance) C4'-P energy: -21.962
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -24.485
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -262.992667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.992667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.992667 (E_RNA)
where:
Base-Base interactions energy: -161.365
where: short stacking energy: -94.689
Base-Backbone interact. energy: -0.327
local terms energy: -101.301126
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -25.669
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -169.682822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.682822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.682822 (E_RNA)
where:
Base-Base interactions energy: -86.188
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.319
local terms energy: -83.175666
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -26.930
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -7.590
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: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -141.099670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.099670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.099670 (E_RNA)
where:
Base-Base interactions energy: -53.092
where: short stacking energy: -52.833
Base-Backbone interact. energy: -0.136
local terms energy: -87.871106
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -24.483
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -10.636
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: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -144.846029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.846029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.846029 (E_RNA)
where:
Base-Base interactions energy: -58.643
where: short stacking energy: -54.310
Base-Backbone interact. energy: -0.210
local terms energy: -85.992494
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -29.444
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -17.977
tors. eta vs tors. theta energy: 0.189
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -427.500924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.500924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.500924 (E_RNA)
where:
Base-Base interactions energy: -290.902
where: short stacking energy: -146.445
Base-Backbone interact. energy: 0.384
local terms energy: -136.982533
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -24.348
flat angles C4'-P-C4' energy: -27.912
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -40.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -386.588087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.588087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.588087 (E_RNA)
where:
Base-Base interactions energy: -256.778
where: short stacking energy: -118.865
Base-Backbone interact. energy: -0.362
local terms energy: -129.448696
where:
bonds (distance) C4'-P energy: -23.719
bonds (distance) P-C4' energy: -24.838
flat angles C4'-P-C4' energy: -25.437
flat angles P-C4'-P energy: -21.320
tors. eta vs tors. theta energy: -34.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -377.941168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.941168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.941168 (E_RNA)
where:
Base-Base interactions energy: -242.631
where: short stacking energy: -129.032
Base-Backbone interact. energy: -0.736
local terms energy: -134.574499
where:
bonds (distance) C4'-P energy: -26.780
bonds (distance) P-C4' energy: -25.895
flat angles C4'-P-C4' energy: -26.569
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -40.204
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: 317
Temperature: 1.050000
Total energy: -345.935512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.935512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.935512 (E_RNA)
where:
Base-Base interactions energy: -215.593
where: short stacking energy: -111.770
Base-Backbone interact. energy: -0.885
local terms energy: -129.457449
where:
bonds (distance) C4'-P energy: -25.139
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -28.144
flat angles P-C4'-P energy: -21.153
tors. eta vs tors. theta energy: -35.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -304.895366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.895366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.895366 (E_RNA)
where:
Base-Base interactions energy: -188.789
where: short stacking energy: -105.609
Base-Backbone interact. energy: -0.252
local terms energy: -115.854374
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -27.827
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -25.276
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: 5
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -270.794687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.794687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.794687 (E_RNA)
where:
Base-Base interactions energy: -161.136
where: short stacking energy: -101.842
Base-Backbone interact. energy: -0.090
local terms energy: -109.568895
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -23.118
flat angles C4'-P-C4' energy: -22.279
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -28.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -260.686715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.686715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.686715 (E_RNA)
where:
Base-Base interactions energy: -152.885
where: short stacking energy: -83.382
Base-Backbone interact. energy: -0.146
local terms energy: -107.655699
where:
bonds (distance) C4'-P energy: -22.990
bonds (distance) P-C4' energy: -26.607
flat angles C4'-P-C4' energy: -23.073
flat angles P-C4'-P energy: -17.415
tors. eta vs tors. theta energy: -17.571
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: 317
Temperature: 1.250000
Total energy: -162.742069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.742069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.742069 (E_RNA)
where:
Base-Base interactions energy: -75.478
where: short stacking energy: -60.831
Base-Backbone interact. energy: 1.666
local terms energy: -88.929978
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -23.786
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -20.842
tors. eta vs tors. theta energy: -6.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -137.361993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.361993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.361993 (E_RNA)
where:
Base-Base interactions energy: -57.460
where: short stacking energy: -48.974
Base-Backbone interact. energy: -0.645
local terms energy: -79.257359
where:
bonds (distance) C4'-P energy: -24.871
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -10.417
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: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -133.208974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.208974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.208974 (E_RNA)
where:
Base-Base interactions energy: -42.198
where: short stacking energy: -41.556
Base-Backbone interact. energy: -0.094
local terms energy: -90.917049
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -24.832
flat angles C4'-P-C4' energy: -26.190
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -5.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -405.012803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.012803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.012803 (E_RNA)
where:
Base-Base interactions energy: -268.933
where: short stacking energy: -138.501
Base-Backbone interact. energy: -1.771
local terms energy: -134.309063
where:
bonds (distance) C4'-P energy: -27.275
bonds (distance) P-C4' energy: -24.581
flat angles C4'-P-C4' energy: -29.017
flat angles P-C4'-P energy: -19.499
tors. eta vs tors. theta energy: -33.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -416.323677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.323677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.323677 (E_RNA)
where:
Base-Base interactions energy: -277.220
where: short stacking energy: -133.423
Base-Backbone interact. energy: -0.238
local terms energy: -138.865469
where:
bonds (distance) C4'-P energy: -27.312
bonds (distance) P-C4' energy: -23.742
flat angles C4'-P-C4' energy: -27.734
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -39.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -395.061567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.061567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.061567 (E_RNA)
where:
Base-Base interactions energy: -256.518
where: short stacking energy: -132.779
Base-Backbone interact. energy: 0.321
local terms energy: -138.864301
where:
bonds (distance) C4'-P energy: -28.881
bonds (distance) P-C4' energy: -25.975
flat angles C4'-P-C4' energy: -28.438
flat angles P-C4'-P energy: -18.433
tors. eta vs tors. theta energy: -37.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -321.940606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.940606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.940606 (E_RNA)
where:
Base-Base interactions energy: -203.317
where: short stacking energy: -106.554
Base-Backbone interact. energy: -0.278
local terms energy: -118.345484
where:
bonds (distance) C4'-P energy: -24.866
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -24.416
flat angles P-C4'-P energy: -19.450
tors. eta vs tors. theta energy: -26.437
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: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -297.574897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.574897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.574897 (E_RNA)
where:
Base-Base interactions energy: -186.124
where: short stacking energy: -102.223
Base-Backbone interact. energy: -1.227
local terms energy: -110.223793
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -22.304
flat angles C4'-P-C4' energy: -24.759
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -27.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -265.555593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.555593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.555593 (E_RNA)
where:
Base-Base interactions energy: -154.595
where: short stacking energy: -93.277
Base-Backbone interact. energy: -0.429
local terms energy: -110.531831
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -28.428
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -23.934
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: 7, replica: 3
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -274.647068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.647068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.647068 (E_RNA)
where:
Base-Base interactions energy: -168.146
where: short stacking energy: -94.600
Base-Backbone interact. energy: -0.795
local terms energy: -105.706296
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -30.963
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -21.855
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: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -140.582137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.582137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.582137 (E_RNA)
where:
Base-Base interactions energy: -62.531
where: short stacking energy: -54.939
Base-Backbone interact. energy: 0.104
local terms energy: -78.154769
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -26.606
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -1.592
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: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -129.665550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.665550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.665550 (E_RNA)
where:
Base-Base interactions energy: -51.304
where: short stacking energy: -48.647
Base-Backbone interact. energy: -0.250
local terms energy: -78.111113
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -12.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -137.762176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.762176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.762176 (E_RNA)
where:
Base-Base interactions energy: -50.980
where: short stacking energy: -50.074
Base-Backbone interact. energy: 0.918
local terms energy: -87.700742
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -25.341
flat angles C4'-P-C4' energy: -26.595
flat angles P-C4'-P energy: -9.607
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -405.406611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.406611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.406611 (E_RNA)
where:
Base-Base interactions energy: -270.617
where: short stacking energy: -130.800
Base-Backbone interact. energy: -0.350
local terms energy: -134.440077
where:
bonds (distance) C4'-P energy: -25.089
bonds (distance) P-C4' energy: -29.887
flat angles C4'-P-C4' energy: -26.265
flat angles P-C4'-P energy: -18.195
tors. eta vs tors. theta energy: -35.004
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: 319
Temperature: 0.950000
Total energy: -411.622538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.622538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.622538 (E_RNA)
where:
Base-Base interactions energy: -267.346
where: short stacking energy: -136.711
Base-Backbone interact. energy: -1.310
local terms energy: -142.966578
where:
bonds (distance) C4'-P energy: -28.283
bonds (distance) P-C4' energy: -27.385
flat angles C4'-P-C4' energy: -28.414
flat angles P-C4'-P energy: -18.348
tors. eta vs tors. theta energy: -40.536
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: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -359.511928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.511928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.511928 (E_RNA)
where:
Base-Base interactions energy: -228.759
where: short stacking energy: -121.808
Base-Backbone interact. energy: -0.018
local terms energy: -130.735146
where:
bonds (distance) C4'-P energy: -27.362
bonds (distance) P-C4' energy: -29.845
flat angles C4'-P-C4' energy: -26.922
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -31.344
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: 319
Temperature: 1.050000
Total energy: -331.905283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.905283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.905283 (E_RNA)
where:
Base-Base interactions energy: -209.123
where: short stacking energy: -117.095
Base-Backbone interact. energy: -1.127
local terms energy: -121.655905
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -28.986
flat angles C4'-P-C4' energy: -23.568
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -32.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -302.556307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.556307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.556307 (E_RNA)
where:
Base-Base interactions energy: -181.940
where: short stacking energy: -102.791
Base-Backbone interact. energy: -0.434
local terms energy: -120.182212
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -26.571
flat angles C4'-P-C4' energy: -29.013
flat angles P-C4'-P energy: -18.376
tors. eta vs tors. theta energy: -27.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -264.772350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.772350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.772350 (E_RNA)
where:
Base-Base interactions energy: -150.249
where: short stacking energy: -91.051
Base-Backbone interact. energy: -0.113
local terms energy: -114.410076
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -30.268
flat angles P-C4'-P energy: -20.848
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -266.220004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.220004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.220004 (E_RNA)
where:
Base-Base interactions energy: -153.868
where: short stacking energy: -86.507
Base-Backbone interact. energy: -0.984
local terms energy: -111.367840
where:
bonds (distance) C4'-P energy: -22.613
bonds (distance) P-C4' energy: -26.838
flat angles C4'-P-C4' energy: -20.428
flat angles P-C4'-P energy: -21.584
tors. eta vs tors. theta energy: -19.905
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: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -159.282414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.282414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.282414 (E_RNA)
where:
Base-Base interactions energy: -58.118
where: short stacking energy: -58.118
Base-Backbone interact. energy: -0.216
local terms energy: -100.948070
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -24.351
flat angles C4'-P-C4' energy: -24.465
flat angles P-C4'-P energy: -18.294
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -127.515791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.515791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.515791 (E_RNA)
where:
Base-Base interactions energy: -44.534
where: short stacking energy: -42.084
Base-Backbone interact. energy: 0.728
local terms energy: -83.709333
where:
bonds (distance) C4'-P energy: -25.159
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -11.227
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: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -123.768345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.768345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.768345 (E_RNA)
where:
Base-Base interactions energy: -49.964
where: short stacking energy: -48.632
Base-Backbone interact. energy: -0.694
local terms energy: -73.110481
where:
bonds (distance) C4'-P energy: -21.716
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -0.140
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -408.972980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.972980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.972980 (E_RNA)
where:
Base-Base interactions energy: -268.307
where: short stacking energy: -132.785
Base-Backbone interact. energy: -0.700
local terms energy: -139.965963
where:
bonds (distance) C4'-P energy: -23.810
bonds (distance) P-C4' energy: -27.909
flat angles C4'-P-C4' energy: -31.422
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -38.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -385.257865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.257865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.257865 (E_RNA)
where:
Base-Base interactions energy: -254.310
where: short stacking energy: -116.808
Base-Backbone interact. energy: 0.330
local terms energy: -131.277240
where:
bonds (distance) C4'-P energy: -27.746
bonds (distance) P-C4' energy: -23.414
flat angles C4'-P-C4' energy: -26.331
flat angles P-C4'-P energy: -23.406
tors. eta vs tors. theta energy: -30.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -338.563539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.563539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.563539 (E_RNA)
where:
Base-Base interactions energy: -211.205
where: short stacking energy: -106.063
Base-Backbone interact. energy: -0.358
local terms energy: -127.000176
where:
bonds (distance) C4'-P energy: -24.216
bonds (distance) P-C4' energy: -25.651
flat angles C4'-P-C4' energy: -27.170
flat angles P-C4'-P energy: -17.811
tors. eta vs tors. theta energy: -32.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -350.413542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.413542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.413542 (E_RNA)
where:
Base-Base interactions energy: -221.973
where: short stacking energy: -117.918
Base-Backbone interact. energy: -0.104
local terms energy: -128.336749
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -24.813
flat angles C4'-P-C4' energy: -28.680
flat angles P-C4'-P energy: -18.789
tors. eta vs tors. theta energy: -34.187
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: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -301.895972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.895972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.895972 (E_RNA)
where:
Base-Base interactions energy: -178.177
where: short stacking energy: -104.901
Base-Backbone interact. energy: -0.064
local terms energy: -123.654997
where:
bonds (distance) C4'-P energy: -26.261
bonds (distance) P-C4' energy: -23.976
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -27.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -238.974526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.974526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.974526 (E_RNA)
where:
Base-Base interactions energy: -136.012
where: short stacking energy: -75.993
Base-Backbone interact. energy: -0.439
local terms energy: -102.522907
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -27.501
flat angles C4'-P-C4' energy: -25.490
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -273.134318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.134318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.134318 (E_RNA)
where:
Base-Base interactions energy: -167.492
where: short stacking energy: -85.282
Base-Backbone interact. energy: -0.077
local terms energy: -105.565685
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -25.532
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -19.994
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: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -146.737784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.737784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.737784 (E_RNA)
where:
Base-Base interactions energy: -61.003
where: short stacking energy: -59.931
Base-Backbone interact. energy: -0.244
local terms energy: -85.489979
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -19.986
tors. eta vs tors. theta energy: -9.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -143.457490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.457490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.457490 (E_RNA)
where:
Base-Base interactions energy: -51.986
where: short stacking energy: -51.409
Base-Backbone interact. energy: -0.024
local terms energy: -91.447077
where:
bonds (distance) C4'-P energy: -26.702
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -26.484
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -136.536519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.536519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.536519 (E_RNA)
where:
Base-Base interactions energy: -55.990
where: short stacking energy: -46.086
Base-Backbone interact. energy: -0.408
local terms energy: -80.138717
where:
bonds (distance) C4'-P energy: -25.200
bonds (distance) P-C4' energy: -23.102
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -409.397967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.397967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.397967 (E_RNA)
where:
Base-Base interactions energy: -263.166
where: short stacking energy: -120.876
Base-Backbone interact. energy: -0.073
local terms energy: -146.158302
where:
bonds (distance) C4'-P energy: -30.293
bonds (distance) P-C4' energy: -27.949
flat angles C4'-P-C4' energy: -31.341
flat angles P-C4'-P energy: -17.960
tors. eta vs tors. theta energy: -38.616
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: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -342.258151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.258151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.258151 (E_RNA)
where:
Base-Base interactions energy: -222.096
where: short stacking energy: -121.775
Base-Backbone interact. energy: -0.522
local terms energy: -119.640073
where:
bonds (distance) C4'-P energy: -24.431
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -26.661
flat angles P-C4'-P energy: -20.937
tors. eta vs tors. theta energy: -29.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -382.612887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.612887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.612887 (E_RNA)
where:
Base-Base interactions energy: -263.526
where: short stacking energy: -132.263
Base-Backbone interact. energy: -0.524
local terms energy: -118.562912
where:
bonds (distance) C4'-P energy: -23.483
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -27.974
flat angles P-C4'-P energy: -16.003
tors. eta vs tors. theta energy: -33.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -337.883318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.883318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.883318 (E_RNA)
where:
Base-Base interactions energy: -208.945
where: short stacking energy: -101.936
Base-Backbone interact. energy: -0.500
local terms energy: -128.438185
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -25.331
flat angles C4'-P-C4' energy: -29.003
flat angles P-C4'-P energy: -20.706
tors. eta vs tors. theta energy: -28.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -295.778153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.778153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.778153 (E_RNA)
where:
Base-Base interactions energy: -186.070
where: short stacking energy: -101.617
Base-Backbone interact. energy: -1.937
local terms energy: -107.771443
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -24.824
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -24.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -288.222210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.222210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.222210 (E_RNA)
where:
Base-Base interactions energy: -181.360
where: short stacking energy: -96.455
Base-Backbone interact. energy: -0.782
local terms energy: -106.080643
where:
bonds (distance) C4'-P energy: -29.315
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -14.011
tors. eta vs tors. theta energy: -22.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -228.007078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.007078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.007078 (E_RNA)
where:
Base-Base interactions energy: -128.423
where: short stacking energy: -69.007
Base-Backbone interact. energy: -2.271
local terms energy: -97.312404
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -25.588
flat angles C4'-P-C4' energy: -27.251
flat angles P-C4'-P energy: -17.899
tors. eta vs tors. theta energy: -13.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -137.426702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.426702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.426702 (E_RNA)
where:
Base-Base interactions energy: -46.571
where: short stacking energy: -45.480
Base-Backbone interact. energy: -0.361
local terms energy: -90.494311
where:
bonds (distance) C4'-P energy: -26.869
bonds (distance) P-C4' energy: -25.510
flat angles C4'-P-C4' energy: -22.846
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -3.021
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: 321
Temperature: 1.300000
Total energy: -138.798433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.798433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.798433 (E_RNA)
where:
Base-Base interactions energy: -52.402
where: short stacking energy: -45.013
Base-Backbone interact. energy: -0.148
local terms energy: -86.249301
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -24.663
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -129.557040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.557040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.557040 (E_RNA)
where:
Base-Base interactions energy: -47.612
where: short stacking energy: -46.037
Base-Backbone interact. energy: 0.125
local terms energy: -82.070192
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -25.991
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -423.423943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.423943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.423943 (E_RNA)
where:
Base-Base interactions energy: -283.847
where: short stacking energy: -135.783
Base-Backbone interact. energy: -0.344
local terms energy: -139.232081
where:
bonds (distance) C4'-P energy: -24.050
bonds (distance) P-C4' energy: -27.168
flat angles C4'-P-C4' energy: -27.864
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: -41.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -349.690071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.690071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.690071 (E_RNA)
where:
Base-Base interactions energy: -224.539
where: short stacking energy: -120.936
Base-Backbone interact. energy: -0.273
local terms energy: -124.877819
where:
bonds (distance) C4'-P energy: -23.740
bonds (distance) P-C4' energy: -27.122
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -16.920
tors. eta vs tors. theta energy: -34.567
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: 4
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -368.866022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.866022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.866022 (E_RNA)
where:
Base-Base interactions energy: -237.988
where: short stacking energy: -108.797
Base-Backbone interact. energy: -1.046
local terms energy: -129.832466
where:
bonds (distance) C4'-P energy: -25.456
bonds (distance) P-C4' energy: -28.864
flat angles C4'-P-C4' energy: -27.174
flat angles P-C4'-P energy: -20.001
tors. eta vs tors. theta energy: -28.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -354.440914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.440914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.440914 (E_RNA)
where:
Base-Base interactions energy: -231.622
where: short stacking energy: -120.798
Base-Backbone interact. energy: -0.747
local terms energy: -122.072325
where:
bonds (distance) C4'-P energy: -25.155
bonds (distance) P-C4' energy: -19.395
flat angles C4'-P-C4' energy: -27.277
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -34.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -299.585888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.585888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.585888 (E_RNA)
where:
Base-Base interactions energy: -188.573
where: short stacking energy: -95.818
Base-Backbone interact. energy: -0.627
local terms energy: -110.386727
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -25.184
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -20.450
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -299.121942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.121942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.121942 (E_RNA)
where:
Base-Base interactions energy: -189.627
where: short stacking energy: -101.637
Base-Backbone interact. energy: 0.262
local terms energy: -109.757687
where:
bonds (distance) C4'-P energy: -21.909
bonds (distance) P-C4' energy: -21.997
flat angles C4'-P-C4' energy: -26.840
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -25.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -245.207780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.207780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.207780 (E_RNA)
where:
Base-Base interactions energy: -145.728
where: short stacking energy: -90.776
Base-Backbone interact. energy: -0.475
local terms energy: -99.005358
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -24.418
flat angles C4'-P-C4' energy: -25.460
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -145.650539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.650539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.650539 (E_RNA)
where:
Base-Base interactions energy: -55.693
where: short stacking energy: -52.135
Base-Backbone interact. energy: -0.106
local terms energy: -89.851445
where:
bonds (distance) C4'-P energy: -23.671
bonds (distance) P-C4' energy: -26.360
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -133.078959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.078959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.078959 (E_RNA)
where:
Base-Base interactions energy: -64.479
where: short stacking energy: -41.398
Base-Backbone interact. energy: -0.121
local terms energy: -68.478510
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: 0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -128.920334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.920334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.920334 (E_RNA)
where:
Base-Base interactions energy: -55.157
where: short stacking energy: -53.552
Base-Backbone interact. energy: -0.518
local terms energy: -73.245185
where:
bonds (distance) C4'-P energy: -24.819
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -9.864
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -427.760417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.760417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.760417 (E_RNA)
where:
Base-Base interactions energy: -288.450
where: short stacking energy: -148.995
Base-Backbone interact. energy: -0.843
local terms energy: -138.467428
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -29.364
flat angles C4'-P-C4' energy: -27.552
flat angles P-C4'-P energy: -17.669
tors. eta vs tors. theta energy: -42.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -391.856955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.856955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.856955 (E_RNA)
where:
Base-Base interactions energy: -255.381
where: short stacking energy: -131.843
Base-Backbone interact. energy: -0.833
local terms energy: -135.643523
where:
bonds (distance) C4'-P energy: -26.082
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -30.047
flat angles P-C4'-P energy: -20.223
tors. eta vs tors. theta energy: -37.831
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: 323
Temperature: 1.000000
Total energy: -335.885238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.885238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.885238 (E_RNA)
where:
Base-Base interactions energy: -215.532
where: short stacking energy: -125.957
Base-Backbone interact. energy: -1.134
local terms energy: -119.219043
where:
bonds (distance) C4'-P energy: -26.481
bonds (distance) P-C4' energy: -22.474
flat angles C4'-P-C4' energy: -28.313
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -27.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -306.500651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.500651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.500651 (E_RNA)
where:
Base-Base interactions energy: -192.561
where: short stacking energy: -99.705
Base-Backbone interact. energy: -0.038
local terms energy: -113.901388
where:
bonds (distance) C4'-P energy: -25.785
bonds (distance) P-C4' energy: -22.928
flat angles C4'-P-C4' energy: -26.987
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -25.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -331.735478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.735478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.735478 (E_RNA)
where:
Base-Base interactions energy: -209.888
where: short stacking energy: -108.656
Base-Backbone interact. energy: -0.058
local terms energy: -121.789274
where:
bonds (distance) C4'-P energy: -23.760
bonds (distance) P-C4' energy: -25.291
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -31.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -272.477954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.477954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.477954 (E_RNA)
where:
Base-Base interactions energy: -156.799
where: short stacking energy: -84.836
Base-Backbone interact. energy: -0.465
local terms energy: -115.213907
where:
bonds (distance) C4'-P energy: -26.349
bonds (distance) P-C4' energy: -30.076
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -18.363
tors. eta vs tors. theta energy: -20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -246.186268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.186268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.186268 (E_RNA)
where:
Base-Base interactions energy: -155.545
where: short stacking energy: -69.313
Base-Backbone interact. energy: 1.570
local terms energy: -92.211330
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -24.515
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -14.981
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: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -174.410956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.410956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.410956 (E_RNA)
where:
Base-Base interactions energy: -85.381
where: short stacking energy: -64.002
Base-Backbone interact. energy: -0.546
local terms energy: -88.484161
where:
bonds (distance) C4'-P energy: -24.907
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -11.430
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: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -137.148173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.148173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.148173 (E_RNA)
where:
Base-Base interactions energy: -57.817
where: short stacking energy: -54.192
Base-Backbone interact. energy: -0.389
local terms energy: -78.942182
where:
bonds (distance) C4'-P energy: -21.355
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -21.825
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -5.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -142.281176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.281176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.281176 (E_RNA)
where:
Base-Base interactions energy: -58.088
where: short stacking energy: -50.027
Base-Backbone interact. energy: -0.471
local terms energy: -83.722770
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -21.947
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -423.831584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.831584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.831584 (E_RNA)
where:
Base-Base interactions energy: -278.400
where: short stacking energy: -137.612
Base-Backbone interact. energy: 0.674
local terms energy: -146.105502
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -27.957
flat angles C4'-P-C4' energy: -28.633
flat angles P-C4'-P energy: -24.300
tors. eta vs tors. theta energy: -41.678
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: 2, replica: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -384.484019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.484019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.484019 (E_RNA)
where:
Base-Base interactions energy: -252.482
where: short stacking energy: -127.626
Base-Backbone interact. energy: -0.749
local terms energy: -131.253435
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -24.267
flat angles C4'-P-C4' energy: -24.769
flat angles P-C4'-P energy: -17.823
tors. eta vs tors. theta energy: -39.430
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: 9
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -343.299069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.299069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.299069 (E_RNA)
where:
Base-Base interactions energy: -217.083
where: short stacking energy: -121.253
Base-Backbone interact. energy: -0.160
local terms energy: -126.056558
where:
bonds (distance) C4'-P energy: -26.976
bonds (distance) P-C4' energy: -28.712
flat angles C4'-P-C4' energy: -27.338
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -27.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -315.533850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.533850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.533850 (E_RNA)
where:
Base-Base interactions energy: -197.531
where: short stacking energy: -106.712
Base-Backbone interact. energy: -0.302
local terms energy: -117.700669
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -29.352
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -32.191
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: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -300.160587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.160587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.160587 (E_RNA)
where:
Base-Base interactions energy: -192.267
where: short stacking energy: -99.229
Base-Backbone interact. energy: -0.381
local terms energy: -107.512739
where:
bonds (distance) C4'-P energy: -22.448
bonds (distance) P-C4' energy: -23.563
flat angles C4'-P-C4' energy: -22.280
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -257.302027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.302027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.302027 (E_RNA)
where:
Base-Base interactions energy: -157.247
where: short stacking energy: -84.498
Base-Backbone interact. energy: -0.114
local terms energy: -99.940714
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -27.288
flat angles C4'-P-C4' energy: -23.843
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -16.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -248.812609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.812609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.812609 (E_RNA)
where:
Base-Base interactions energy: -150.578
where: short stacking energy: -89.200
Base-Backbone interact. energy: -0.721
local terms energy: -97.513180
where:
bonds (distance) C4'-P energy: -22.315
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -24.630
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -144.638462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.638462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.638462 (E_RNA)
where:
Base-Base interactions energy: -64.838
where: short stacking energy: -47.833
Base-Backbone interact. energy: -0.962
local terms energy: -78.838724
where:
bonds (distance) C4'-P energy: -26.201
bonds (distance) P-C4' energy: -25.435
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -141.063162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.063162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.063162 (E_RNA)
where:
Base-Base interactions energy: -52.986
where: short stacking energy: -52.986
Base-Backbone interact. energy: -0.144
local terms energy: -87.933414
where:
bonds (distance) C4'-P energy: -27.126
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -133.086651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.086651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.086651 (E_RNA)
where:
Base-Base interactions energy: -53.139
where: short stacking energy: -51.166
Base-Backbone interact. energy: -0.334
local terms energy: -79.613586
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -24.535
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -5.253
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -426.598945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.598945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.598945 (E_RNA)
where:
Base-Base interactions energy: -284.769
where: short stacking energy: -144.083
Base-Backbone interact. energy: -1.059
local terms energy: -140.770781
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -27.738
flat angles C4'-P-C4' energy: -28.868
flat angles P-C4'-P energy: -19.103
tors. eta vs tors. theta energy: -42.310
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: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -395.136899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.136899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.136899 (E_RNA)
where:
Base-Base interactions energy: -264.793
where: short stacking energy: -124.197
Base-Backbone interact. energy: -0.561
local terms energy: -129.782443
where:
bonds (distance) C4'-P energy: -25.685
bonds (distance) P-C4' energy: -27.302
flat angles C4'-P-C4' energy: -27.978
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -33.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -347.803658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.803658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.803658 (E_RNA)
where:
Base-Base interactions energy: -222.607
where: short stacking energy: -125.251
Base-Backbone interact. energy: 0.697
local terms energy: -125.894107
where:
bonds (distance) C4'-P energy: -20.232
bonds (distance) P-C4' energy: -27.986
flat angles C4'-P-C4' energy: -27.567
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -34.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -326.868025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.868025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.868025 (E_RNA)
where:
Base-Base interactions energy: -201.254
where: short stacking energy: -128.167
Base-Backbone interact. energy: -0.215
local terms energy: -125.398134
where:
bonds (distance) C4'-P energy: -23.211
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -17.927
tors. eta vs tors. theta energy: -38.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -313.880518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.880518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.880518 (E_RNA)
where:
Base-Base interactions energy: -197.635
where: short stacking energy: -103.101
Base-Backbone interact. energy: -1.141
local terms energy: -115.105337
where:
bonds (distance) C4'-P energy: -22.486
bonds (distance) P-C4' energy: -23.572
flat angles C4'-P-C4' energy: -27.197
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -24.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -266.077847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.077847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.077847 (E_RNA)
where:
Base-Base interactions energy: -161.896
where: short stacking energy: -85.659
Base-Backbone interact. energy: -1.695
local terms energy: -102.486491
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -26.823
flat angles C4'-P-C4' energy: -24.490
flat angles P-C4'-P energy: -15.216
tors. eta vs tors. theta energy: -17.237
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: 7, replica: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -242.099667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.099667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.099667 (E_RNA)
where:
Base-Base interactions energy: -154.441
where: short stacking energy: -87.388
Base-Backbone interact. energy: -1.330
local terms energy: -86.328393
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -12.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -175.026769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.026769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.026769 (E_RNA)
where:
Base-Base interactions energy: -87.510
where: short stacking energy: -60.615
Base-Backbone interact. energy: -0.249
local terms energy: -87.267304
where:
bonds (distance) C4'-P energy: -19.323
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -22.792
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -116.950818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.950818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.950818 (E_RNA)
where:
Base-Base interactions energy: -39.816
where: short stacking energy: -37.292
Base-Backbone interact. energy: -1.335
local terms energy: -75.799393
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -25.375
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -15.677
tors. eta vs tors. theta energy: 1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -136.355829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.355829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.355829 (E_RNA)
where:
Base-Base interactions energy: -50.811
where: short stacking energy: -51.111
Base-Backbone interact. energy: 0.910
local terms energy: -86.455533
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -25.022
flat angles C4'-P-C4' energy: -24.393
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -4.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -415.526131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.526131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.526131 (E_RNA)
where:
Base-Base interactions energy: -281.351
where: short stacking energy: -133.966
Base-Backbone interact. energy: -0.490
local terms energy: -133.686012
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -24.946
flat angles C4'-P-C4' energy: -26.717
flat angles P-C4'-P energy: -21.616
tors. eta vs tors. theta energy: -38.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -422.886536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.886536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.886536 (E_RNA)
where:
Base-Base interactions energy: -279.779
where: short stacking energy: -141.406
Base-Backbone interact. energy: -0.152
local terms energy: -142.955638
where:
bonds (distance) C4'-P energy: -25.448
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -29.053
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -44.115
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: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -323.399453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.399453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.399453 (E_RNA)
where:
Base-Base interactions energy: -195.834
where: short stacking energy: -106.890
Base-Backbone interact. energy: -0.860
local terms energy: -126.705353
where:
bonds (distance) C4'-P energy: -23.204
bonds (distance) P-C4' energy: -28.251
flat angles C4'-P-C4' energy: -29.789
flat angles P-C4'-P energy: -18.400
tors. eta vs tors. theta energy: -27.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -336.617344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.617344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.617344 (E_RNA)
where:
Base-Base interactions energy: -205.943
where: short stacking energy: -114.600
Base-Backbone interact. energy: -0.134
local terms energy: -130.540467
where:
bonds (distance) C4'-P energy: -24.650
bonds (distance) P-C4' energy: -30.573
flat angles C4'-P-C4' energy: -27.568
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -32.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -309.339000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.339000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.339000 (E_RNA)
where:
Base-Base interactions energy: -198.382
where: short stacking energy: -94.889
Base-Backbone interact. energy: 0.072
local terms energy: -111.029375
where:
bonds (distance) C4'-P energy: -27.685
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -25.761
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -23.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -252.472804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.472804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.472804 (E_RNA)
where:
Base-Base interactions energy: -153.112
where: short stacking energy: -69.904
Base-Backbone interact. energy: -0.259
local terms energy: -99.101704
where:
bonds (distance) C4'-P energy: -21.732
bonds (distance) P-C4' energy: -22.153
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -253.668247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.668247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.668247 (E_RNA)
where:
Base-Base interactions energy: -148.758
where: short stacking energy: -73.593
Base-Backbone interact. energy: -0.297
local terms energy: -104.612843
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -25.431
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -14.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -169.645641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.645641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.645641 (E_RNA)
where:
Base-Base interactions energy: -73.528
where: short stacking energy: -45.536
Base-Backbone interact. energy: 0.140
local terms energy: -96.258025
where:
bonds (distance) C4'-P energy: -29.680
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -11.539
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: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -136.851958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.851958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.851958 (E_RNA)
where:
Base-Base interactions energy: -59.372
where: short stacking energy: -59.158
Base-Backbone interact. energy: -0.134
local terms energy: -77.345603
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -22.800
flat angles C4'-P-C4' energy: -23.464
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -124.115616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.115616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.115616 (E_RNA)
where:
Base-Base interactions energy: -44.003
where: short stacking energy: -42.567
Base-Backbone interact. energy: -0.493
local terms energy: -79.619462
where:
bonds (distance) C4'-P energy: -25.295
bonds (distance) P-C4' energy: -22.677
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -14.999
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -424.581245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.581245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.581245 (E_RNA)
where:
Base-Base interactions energy: -280.663
where: short stacking energy: -129.666
Base-Backbone interact. energy: -0.191
local terms energy: -143.727753
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -29.552
flat angles C4'-P-C4' energy: -29.850
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: -40.474
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: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -418.907108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.907108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.907108 (E_RNA)
where:
Base-Base interactions energy: -279.799
where: short stacking energy: -137.984
Base-Backbone interact. energy: 0.486
local terms energy: -139.593841
where:
bonds (distance) C4'-P energy: -25.734
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -30.920
flat angles P-C4'-P energy: -20.018
tors. eta vs tors. theta energy: -38.951
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: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -324.287732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.287732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.287732 (E_RNA)
where:
Base-Base interactions energy: -209.319
where: short stacking energy: -122.592
Base-Backbone interact. energy: -0.454
local terms energy: -114.513945
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -26.595
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -28.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -327.096894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.096894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.096894 (E_RNA)
where:
Base-Base interactions energy: -207.928
where: short stacking energy: -103.751
Base-Backbone interact. energy: -0.318
local terms energy: -118.850807
where:
bonds (distance) C4'-P energy: -27.063
bonds (distance) P-C4' energy: -25.600
flat angles C4'-P-C4' energy: -31.928
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -330.463625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.463625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.463625 (E_RNA)
where:
Base-Base interactions energy: -209.103
where: short stacking energy: -109.564
Base-Backbone interact. energy: 1.850
local terms energy: -123.210325
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -25.669
flat angles C4'-P-C4' energy: -25.493
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -29.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -255.751413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.751413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.751413 (E_RNA)
where:
Base-Base interactions energy: -161.791
where: short stacking energy: -91.851
Base-Backbone interact. energy: -0.716
local terms energy: -93.244133
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -20.029
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: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -261.812262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.812262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.812262 (E_RNA)
where:
Base-Base interactions energy: -163.036
where: short stacking energy: -89.402
Base-Backbone interact. energy: -0.090
local terms energy: -98.686174
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -25.840
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -13.934
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: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -159.898812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.898812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.898812 (E_RNA)
where:
Base-Base interactions energy: -87.736
where: short stacking energy: -45.554
Base-Backbone interact. energy: 0.325
local terms energy: -72.488373
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -26.087
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -12.876
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: 9, replica: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -125.018700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.018700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.018700 (E_RNA)
where:
Base-Base interactions energy: -48.728
where: short stacking energy: -35.731
Base-Backbone interact. energy: 1.757
local terms energy: -78.048242
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -24.023
flat angles C4'-P-C4' energy: -27.897
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -0.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -127.575480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.575480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.575480 (E_RNA)
where:
Base-Base interactions energy: -50.015
where: short stacking energy: -46.655
Base-Backbone interact. energy: 1.042
local terms energy: -78.601804
where:
bonds (distance) C4'-P energy: -20.057
bonds (distance) P-C4' energy: -24.358
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -6.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -422.254116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.254116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.254116 (E_RNA)
where:
Base-Base interactions energy: -277.838
where: short stacking energy: -137.426
Base-Backbone interact. energy: -1.065
local terms energy: -143.350551
where:
bonds (distance) C4'-P energy: -30.493
bonds (distance) P-C4' energy: -26.370
flat angles C4'-P-C4' energy: -27.709
flat angles P-C4'-P energy: -20.644
tors. eta vs tors. theta energy: -38.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -410.761765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.761765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.761765 (E_RNA)
where:
Base-Base interactions energy: -274.673
where: short stacking energy: -129.070
Base-Backbone interact. energy: -0.125
local terms energy: -135.964257
where:
bonds (distance) C4'-P energy: -26.043
bonds (distance) P-C4' energy: -27.918
flat angles C4'-P-C4' energy: -27.300
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -37.436
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: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -315.365018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.365018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.365018 (E_RNA)
where:
Base-Base interactions energy: -190.190
where: short stacking energy: -108.775
Base-Backbone interact. energy: -0.278
local terms energy: -124.896733
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -26.797
flat angles C4'-P-C4' energy: -25.692
flat angles P-C4'-P energy: -19.935
tors. eta vs tors. theta energy: -30.235
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: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -332.085430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.085430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.085430 (E_RNA)
where:
Base-Base interactions energy: -218.100
where: short stacking energy: -100.807
Base-Backbone interact. energy: -0.420
local terms energy: -113.565799
where:
bonds (distance) C4'-P energy: -24.971
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -24.233
flat angles P-C4'-P energy: -15.912
tors. eta vs tors. theta energy: -25.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -314.308011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.308011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.308011 (E_RNA)
where:
Base-Base interactions energy: -203.671
where: short stacking energy: -100.737
Base-Backbone interact. energy: -0.626
local terms energy: -110.010560
where:
bonds (distance) C4'-P energy: -22.645
bonds (distance) P-C4' energy: -23.910
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -22.560
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: 5
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -265.481825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.481825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.481825 (E_RNA)
where:
Base-Base interactions energy: -153.899
where: short stacking energy: -98.595
Base-Backbone interact. energy: -0.087
local terms energy: -111.495671
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -25.774
flat angles C4'-P-C4' energy: -24.214
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -25.254
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: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -261.848302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.848302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.848302 (E_RNA)
where:
Base-Base interactions energy: -153.537
where: short stacking energy: -81.164
Base-Backbone interact. energy: -1.003
local terms energy: -107.308179
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -24.753
flat angles C4'-P-C4' energy: -25.098
flat angles P-C4'-P energy: -19.703
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: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -142.559219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.559219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.559219 (E_RNA)
where:
Base-Base interactions energy: -53.840
where: short stacking energy: -53.840
Base-Backbone interact. energy: -0.454
local terms energy: -88.264591
where:
bonds (distance) C4'-P energy: -24.283
bonds (distance) P-C4' energy: -25.492
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -153.386795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.386795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.386795 (E_RNA)
where:
Base-Base interactions energy: -80.876
where: short stacking energy: -52.287
Base-Backbone interact. energy: -0.182
local terms energy: -72.328761
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -29.760
flat angles C4'-P-C4' energy: -8.783
flat angles P-C4'-P energy: -17.753
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -128.541294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.541294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.541294 (E_RNA)
where:
Base-Base interactions energy: -39.904
where: short stacking energy: -36.628
Base-Backbone interact. energy: 0.915
local terms energy: -89.552323
where:
bonds (distance) C4'-P energy: -26.505
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -423.871857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.871857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.871857 (E_RNA)
where:
Base-Base interactions energy: -287.795
where: short stacking energy: -135.850
Base-Backbone interact. energy: -0.258
local terms energy: -135.818789
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -28.670
flat angles C4'-P-C4' energy: -27.350
flat angles P-C4'-P energy: -19.341
tors. eta vs tors. theta energy: -39.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -410.675533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.675533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.675533 (E_RNA)
where:
Base-Base interactions energy: -276.530
where: short stacking energy: -134.658
Base-Backbone interact. energy: -0.055
local terms energy: -134.090447
where:
bonds (distance) C4'-P energy: -21.567
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -30.203
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -39.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -320.490752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.490752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.490752 (E_RNA)
where:
Base-Base interactions energy: -192.093
where: short stacking energy: -106.677
Base-Backbone interact. energy: -0.475
local terms energy: -127.922973
where:
bonds (distance) C4'-P energy: -29.792
bonds (distance) P-C4' energy: -23.516
flat angles C4'-P-C4' energy: -28.418
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -29.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -328.376906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.376906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.376906 (E_RNA)
where:
Base-Base interactions energy: -213.315
where: short stacking energy: -102.399
Base-Backbone interact. energy: -0.372
local terms energy: -114.689173
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -25.349
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -26.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -314.042617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.042617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.042617 (E_RNA)
where:
Base-Base interactions energy: -191.584
where: short stacking energy: -106.556
Base-Backbone interact. energy: -0.363
local terms energy: -122.095420
where:
bonds (distance) C4'-P energy: -22.424
bonds (distance) P-C4' energy: -24.430
flat angles C4'-P-C4' energy: -27.546
flat angles P-C4'-P energy: -22.593
tors. eta vs tors. theta energy: -25.103
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: 6, replica: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -297.203979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.203979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.203979 (E_RNA)
where:
Base-Base interactions energy: -168.589
where: short stacking energy: -97.954
Base-Backbone interact. energy: -0.016
local terms energy: -128.598543
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -26.140
flat angles C4'-P-C4' energy: -29.729
flat angles P-C4'-P energy: -19.866
tors. eta vs tors. theta energy: -27.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -248.867844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.867844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.867844 (E_RNA)
where:
Base-Base interactions energy: -133.806
where: short stacking energy: -84.274
Base-Backbone interact. energy: -1.285
local terms energy: -113.776721
where:
bonds (distance) C4'-P energy: -28.170
bonds (distance) P-C4' energy: -27.263
flat angles C4'-P-C4' energy: -24.853
flat angles P-C4'-P energy: -20.510
tors. eta vs tors. theta energy: -12.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -150.137699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.137699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.137699 (E_RNA)
where:
Base-Base interactions energy: -65.736
where: short stacking energy: -56.788
Base-Backbone interact. energy: -0.241
local terms energy: -84.161161
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -8.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -136.804386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.804386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.804386 (E_RNA)
where:
Base-Base interactions energy: -56.014
where: short stacking energy: -56.014
Base-Backbone interact. energy: 1.061
local terms energy: -81.851540
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -26.424
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -7.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -132.952077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.952077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.952077 (E_RNA)
where:
Base-Base interactions energy: -40.031
where: short stacking energy: -40.097
Base-Backbone interact. energy: -0.597
local terms energy: -92.323336
where:
bonds (distance) C4'-P energy: -26.766
bonds (distance) P-C4' energy: -28.178
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -16.958
tors. eta vs tors. theta energy: 1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -425.132587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.132587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.132587 (E_RNA)
where:
Base-Base interactions energy: -285.443
where: short stacking energy: -134.517
Base-Backbone interact. energy: -0.681
local terms energy: -139.007772
where:
bonds (distance) C4'-P energy: -26.037
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -28.345
flat angles P-C4'-P energy: -22.178
tors. eta vs tors. theta energy: -37.586
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: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -426.331519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.331519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.331519 (E_RNA)
where:
Base-Base interactions energy: -283.309
where: short stacking energy: -136.390
Base-Backbone interact. energy: -1.496
local terms energy: -141.526624
where:
bonds (distance) C4'-P energy: -26.782
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -29.010
flat angles P-C4'-P energy: -19.200
tors. eta vs tors. theta energy: -42.846
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: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -329.809950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.809950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.809950 (E_RNA)
where:
Base-Base interactions energy: -205.571
where: short stacking energy: -109.942
Base-Backbone interact. energy: -0.172
local terms energy: -124.066455
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -28.989
flat angles C4'-P-C4' energy: -27.571
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -30.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -307.155710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.155710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.155710 (E_RNA)
where:
Base-Base interactions energy: -181.680
where: short stacking energy: -90.920
Base-Backbone interact. energy: -2.064
local terms energy: -123.411673
where:
bonds (distance) C4'-P energy: -25.298
bonds (distance) P-C4' energy: -27.473
flat angles C4'-P-C4' energy: -26.577
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -25.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -315.860850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.860850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.860850 (E_RNA)
where:
Base-Base interactions energy: -196.520
where: short stacking energy: -103.997
Base-Backbone interact. energy: -0.356
local terms energy: -118.984612
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -27.470
flat angles C4'-P-C4' energy: -30.058
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -22.870
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: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -278.870491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.870491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.870491 (E_RNA)
where:
Base-Base interactions energy: -158.025
where: short stacking energy: -98.272
Base-Backbone interact. energy: -0.725
local terms energy: -120.120593
where:
bonds (distance) C4'-P energy: -26.501
bonds (distance) P-C4' energy: -23.671
flat angles C4'-P-C4' energy: -27.415
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -26.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -264.239842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.239842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.239842 (E_RNA)
where:
Base-Base interactions energy: -156.967
where: short stacking energy: -89.709
Base-Backbone interact. energy: 0.807
local terms energy: -108.080126
where:
bonds (distance) C4'-P energy: -25.929
bonds (distance) P-C4' energy: -24.348
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -24.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -141.496573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.496573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.496573 (E_RNA)
where:
Base-Base interactions energy: -47.456
where: short stacking energy: -41.624
Base-Backbone interact. energy: 2.078
local terms energy: -96.118457
where:
bonds (distance) C4'-P energy: -28.406
bonds (distance) P-C4' energy: -25.861
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -169.856646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.856646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.856646 (E_RNA)
where:
Base-Base interactions energy: -76.823
where: short stacking energy: -53.504
Base-Backbone interact. energy: -0.687
local terms energy: -92.346198
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -22.590
flat angles P-C4'-P energy: -19.498
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: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -132.353195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.353195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.353195 (E_RNA)
where:
Base-Base interactions energy: -55.596
where: short stacking energy: -43.399
Base-Backbone interact. energy: -0.658
local terms energy: -76.098911
where:
bonds (distance) C4'-P energy: -25.291
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: 1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -410.406539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.406539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.406539 (E_RNA)
where:
Base-Base interactions energy: -273.450
where: short stacking energy: -128.369
Base-Backbone interact. energy: -1.386
local terms energy: -135.570705
where:
bonds (distance) C4'-P energy: -27.493
bonds (distance) P-C4' energy: -24.330
flat angles C4'-P-C4' energy: -31.196
flat angles P-C4'-P energy: -19.945
tors. eta vs tors. theta energy: -32.606
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: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -414.138275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.138275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.138275 (E_RNA)
where:
Base-Base interactions energy: -283.692
where: short stacking energy: -141.867
Base-Backbone interact. energy: -0.291
local terms energy: -130.155678
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -26.617
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -40.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -333.205908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.205908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.205908 (E_RNA)
where:
Base-Base interactions energy: -207.617
where: short stacking energy: -113.529
Base-Backbone interact. energy: -0.530
local terms energy: -125.058413
where:
bonds (distance) C4'-P energy: -24.993
bonds (distance) P-C4' energy: -21.140
flat angles C4'-P-C4' energy: -29.432
flat angles P-C4'-P energy: -20.619
tors. eta vs tors. theta energy: -28.875
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: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -324.257006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.257006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.257006 (E_RNA)
where:
Base-Base interactions energy: -193.244
where: short stacking energy: -108.424
Base-Backbone interact. energy: -0.620
local terms energy: -130.392948
where:
bonds (distance) C4'-P energy: -27.146
bonds (distance) P-C4' energy: -27.626
flat angles C4'-P-C4' energy: -26.066
flat angles P-C4'-P energy: -17.266
tors. eta vs tors. theta energy: -32.289
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: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -291.845113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.845113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.845113 (E_RNA)
where:
Base-Base interactions energy: -178.548
where: short stacking energy: -92.385
Base-Backbone interact. energy: -0.966
local terms energy: -112.330764
where:
bonds (distance) C4'-P energy: -22.535
bonds (distance) P-C4' energy: -26.654
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -270.683840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.683840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.683840 (E_RNA)
where:
Base-Base interactions energy: -146.225
where: short stacking energy: -79.148
Base-Backbone interact. energy: -0.484
local terms energy: -123.975207
where:
bonds (distance) C4'-P energy: -26.740
bonds (distance) P-C4' energy: -29.432
flat angles C4'-P-C4' energy: -27.609
flat angles P-C4'-P energy: -17.872
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -262.157697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.157697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.157697 (E_RNA)
where:
Base-Base interactions energy: -165.938
where: short stacking energy: -85.396
Base-Backbone interact. energy: -0.363
local terms energy: -95.856739
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -24.461
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -9.966
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: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -147.230868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.230868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.230868 (E_RNA)
where:
Base-Base interactions energy: -63.426
where: short stacking energy: -59.197
Base-Backbone interact. energy: 0.188
local terms energy: -83.993071
where:
bonds (distance) C4'-P energy: -25.974
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -10.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -143.587665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.587665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.587665 (E_RNA)
where:
Base-Base interactions energy: -59.735
where: short stacking energy: -59.735
Base-Backbone interact. energy: -0.118
local terms energy: -83.735458
where:
bonds (distance) C4'-P energy: -23.901
bonds (distance) P-C4' energy: -20.940
flat angles C4'-P-C4' energy: -22.308
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -135.379394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.379394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.379394 (E_RNA)
where:
Base-Base interactions energy: -49.553
where: short stacking energy: -49.282
Base-Backbone interact. energy: -0.798
local terms energy: -85.028094
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -24.142
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -13.636
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -421.938558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.938558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.938558 (E_RNA)
where:
Base-Base interactions energy: -285.314
where: short stacking energy: -136.982
Base-Backbone interact. energy: -0.557
local terms energy: -136.068152
where:
bonds (distance) C4'-P energy: -26.341
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -26.579
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -44.381
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: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -414.096716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.096716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.096716 (E_RNA)
where:
Base-Base interactions energy: -280.915
where: short stacking energy: -129.805
Base-Backbone interact. energy: -0.128
local terms energy: -133.052967
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -28.258
flat angles C4'-P-C4' energy: -29.295
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -37.624
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: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -335.062990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.062990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.062990 (E_RNA)
where:
Base-Base interactions energy: -201.832
where: short stacking energy: -115.543
Base-Backbone interact. energy: -1.294
local terms energy: -131.937184
where:
bonds (distance) C4'-P energy: -27.688
bonds (distance) P-C4' energy: -25.595
flat angles C4'-P-C4' energy: -27.955
flat angles P-C4'-P energy: -18.973
tors. eta vs tors. theta energy: -31.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -327.869164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.869164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.869164 (E_RNA)
where:
Base-Base interactions energy: -210.474
where: short stacking energy: -113.481
Base-Backbone interact. energy: -0.063
local terms energy: -117.332053
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -27.088
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -29.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -294.070634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.070634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.070634 (E_RNA)
where:
Base-Base interactions energy: -174.504
where: short stacking energy: -87.010
Base-Backbone interact. energy: -0.013
local terms energy: -119.552955
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -24.449
flat angles P-C4'-P energy: -19.729
tors. eta vs tors. theta energy: -23.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -248.429624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.429624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.429624 (E_RNA)
where:
Base-Base interactions energy: -146.984
where: short stacking energy: -82.844
Base-Backbone interact. energy: 0.367
local terms energy: -101.812771
where:
bonds (distance) C4'-P energy: -24.510
bonds (distance) P-C4' energy: -29.050
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -13.801
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: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -240.227552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.227552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.227552 (E_RNA)
where:
Base-Base interactions energy: -139.986
where: short stacking energy: -80.268
Base-Backbone interact. energy: -0.069
local terms energy: -100.173466
where:
bonds (distance) C4'-P energy: -19.811
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -23.086
flat angles P-C4'-P energy: -20.781
tors. eta vs tors. theta energy: -13.540
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: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -141.487408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.487408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.487408 (E_RNA)
where:
Base-Base interactions energy: -60.755
where: short stacking energy: -46.877
Base-Backbone interact. energy: 0.484
local terms energy: -81.215562
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -26.883
flat angles C4'-P-C4' energy: -25.668
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -135.782733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.782733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.782733 (E_RNA)
where:
Base-Base interactions energy: -48.996
where: short stacking energy: -47.378
Base-Backbone interact. energy: -0.232
local terms energy: -86.555371
where:
bonds (distance) C4'-P energy: -22.860
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -122.986469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.986469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.986469 (E_RNA)
where:
Base-Base interactions energy: -47.728
where: short stacking energy: -36.992
Base-Backbone interact. energy: 0.055
local terms energy: -75.313478
where:
bonds (distance) C4'-P energy: -25.429
bonds (distance) P-C4' energy: -27.721
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: 4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -434.793118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.793118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.793118 (E_RNA)
where:
Base-Base interactions energy: -291.951
where: short stacking energy: -143.708
Base-Backbone interact. energy: -0.900
local terms energy: -141.942857
where:
bonds (distance) C4'-P energy: -24.631
bonds (distance) P-C4' energy: -25.682
flat angles C4'-P-C4' energy: -27.477
flat angles P-C4'-P energy: -21.021
tors. eta vs tors. theta energy: -43.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -415.528065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.528065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.528065 (E_RNA)
where:
Base-Base interactions energy: -281.575
where: short stacking energy: -124.459
Base-Backbone interact. energy: -2.184
local terms energy: -131.769304
where:
bonds (distance) C4'-P energy: -21.853
bonds (distance) P-C4' energy: -25.361
flat angles C4'-P-C4' energy: -29.807
flat angles P-C4'-P energy: -19.577
tors. eta vs tors. theta energy: -35.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -330.759969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.759969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.759969 (E_RNA)
where:
Base-Base interactions energy: -208.684
where: short stacking energy: -115.139
Base-Backbone interact. energy: 0.919
local terms energy: -122.994278
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -29.456
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -29.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -340.564645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.564645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.564645 (E_RNA)
where:
Base-Base interactions energy: -218.599
where: short stacking energy: -116.889
Base-Backbone interact. energy: -0.709
local terms energy: -121.256291
where:
bonds (distance) C4'-P energy: -23.099
bonds (distance) P-C4' energy: -26.498
flat angles C4'-P-C4' energy: -24.516
flat angles P-C4'-P energy: -19.283
tors. eta vs tors. theta energy: -27.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -288.789966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.789966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.789966 (E_RNA)
where:
Base-Base interactions energy: -171.713
where: short stacking energy: -91.024
Base-Backbone interact. energy: -1.792
local terms energy: -115.284751
where:
bonds (distance) C4'-P energy: -25.077
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -25.421
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -23.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -278.534523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.534523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.534523 (E_RNA)
where:
Base-Base interactions energy: -162.375
where: short stacking energy: -97.774
Base-Backbone interact. energy: 0.755
local terms energy: -116.913739
where:
bonds (distance) C4'-P energy: -22.302
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -22.741
flat angles P-C4'-P energy: -22.377
tors. eta vs tors. theta energy: -25.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -246.276740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.276740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.276740 (E_RNA)
where:
Base-Base interactions energy: -139.139
where: short stacking energy: -86.751
Base-Backbone interact. energy: -0.058
local terms energy: -107.080337
where:
bonds (distance) C4'-P energy: -25.037
bonds (distance) P-C4' energy: -27.237
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -160.066923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.066923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.066923 (E_RNA)
where:
Base-Base interactions energy: -71.985
where: short stacking energy: -67.566
Base-Backbone interact. energy: 0.373
local terms energy: -88.455815
where:
bonds (distance) C4'-P energy: -22.748
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -16.985
tors. eta vs tors. theta energy: -5.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -135.947240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.947240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.947240 (E_RNA)
where:
Base-Base interactions energy: -50.064
where: short stacking energy: -40.797
Base-Backbone interact. energy: -0.456
local terms energy: -85.427828
where:
bonds (distance) C4'-P energy: -24.963
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -125.443029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.443029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.443029 (E_RNA)
where:
Base-Base interactions energy: -45.941
where: short stacking energy: -42.769
Base-Backbone interact. energy: -0.160
local terms energy: -79.342794
where:
bonds (distance) C4'-P energy: -21.247
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: 0.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -426.648590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.648590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.648590 (E_RNA)
where:
Base-Base interactions energy: -283.689
where: short stacking energy: -140.238
Base-Backbone interact. energy: -0.157
local terms energy: -142.801960
where:
bonds (distance) C4'-P energy: -28.583
bonds (distance) P-C4' energy: -27.003
flat angles C4'-P-C4' energy: -28.431
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -40.190
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: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -399.982521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.982521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.982521 (E_RNA)
where:
Base-Base interactions energy: -272.891
where: short stacking energy: -123.355
Base-Backbone interact. energy: -1.024
local terms energy: -126.067202
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -25.109
flat angles C4'-P-C4' energy: -28.877
flat angles P-C4'-P energy: -16.519
tors. eta vs tors. theta energy: -33.848
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: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -343.407246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.407246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.407246 (E_RNA)
where:
Base-Base interactions energy: -214.716
where: short stacking energy: -118.140
Base-Backbone interact. energy: -0.196
local terms energy: -128.495457
where:
bonds (distance) C4'-P energy: -26.659
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -29.121
flat angles P-C4'-P energy: -20.203
tors. eta vs tors. theta energy: -29.621
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: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -337.090517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.090517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.090517 (E_RNA)
where:
Base-Base interactions energy: -213.022
where: short stacking energy: -110.802
Base-Backbone interact. energy: -0.194
local terms energy: -123.874629
where:
bonds (distance) C4'-P energy: -27.643
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -25.444
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -31.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -289.974678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.974678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.974678 (E_RNA)
where:
Base-Base interactions energy: -183.343
where: short stacking energy: -111.519
Base-Backbone interact. energy: -1.171
local terms energy: -105.461145
where:
bonds (distance) C4'-P energy: -20.970
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -17.931
tors. eta vs tors. theta energy: -28.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -285.935655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.935655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.935655 (E_RNA)
where:
Base-Base interactions energy: -166.398
where: short stacking energy: -88.821
Base-Backbone interact. energy: -0.249
local terms energy: -119.289075
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -23.661
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -21.159
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -238.014909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.014909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.014909 (E_RNA)
where:
Base-Base interactions energy: -141.264
where: short stacking energy: -84.419
Base-Backbone interact. energy: -0.348
local terms energy: -96.403217
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -24.372
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -9.860
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: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -147.950349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.950349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.950349 (E_RNA)
where:
Base-Base interactions energy: -54.906
where: short stacking energy: -50.230
Base-Backbone interact. energy: -0.795
local terms energy: -92.248960
where:
bonds (distance) C4'-P energy: -28.288
bonds (distance) P-C4' energy: -28.895
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -5.009
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: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -150.499155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.499155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.499155 (E_RNA)
where:
Base-Base interactions energy: -67.094
where: short stacking energy: -48.258
Base-Backbone interact. energy: -0.961
local terms energy: -82.444144
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -28.005
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -6.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -125.709211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.709211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.709211 (E_RNA)
where:
Base-Base interactions energy: -42.954
where: short stacking energy: -37.255
Base-Backbone interact. energy: -0.394
local terms energy: -82.361576
where:
bonds (distance) C4'-P energy: -28.686
bonds (distance) P-C4' energy: -26.908
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -9.481
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -430.337867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.337867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.337867 (E_RNA)
where:
Base-Base interactions energy: -275.712
where: short stacking energy: -140.545
Base-Backbone interact. energy: -0.085
local terms energy: -154.541588
where:
bonds (distance) C4'-P energy: -29.180
bonds (distance) P-C4' energy: -29.816
flat angles C4'-P-C4' energy: -30.426
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -44.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -412.510325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.510325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.510325 (E_RNA)
where:
Base-Base interactions energy: -275.472
where: short stacking energy: -130.414
Base-Backbone interact. energy: -0.704
local terms energy: -136.333851
where:
bonds (distance) C4'-P energy: -28.944
bonds (distance) P-C4' energy: -27.062
flat angles C4'-P-C4' energy: -25.712
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -35.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -347.810885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.810885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.810885 (E_RNA)
where:
Base-Base interactions energy: -213.776
where: short stacking energy: -121.360
Base-Backbone interact. energy: -0.654
local terms energy: -133.380840
where:
bonds (distance) C4'-P energy: -26.859
bonds (distance) P-C4' energy: -28.582
flat angles C4'-P-C4' energy: -27.748
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -35.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -334.471316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.471316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.471316 (E_RNA)
where:
Base-Base interactions energy: -200.876
where: short stacking energy: -106.994
Base-Backbone interact. energy: -1.104
local terms energy: -132.491741
where:
bonds (distance) C4'-P energy: -26.957
bonds (distance) P-C4' energy: -24.246
flat angles C4'-P-C4' energy: -27.627
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -30.523
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: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -274.319415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.319415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.319415 (E_RNA)
where:
Base-Base interactions energy: -174.080
where: short stacking energy: -102.068
Base-Backbone interact. energy: -0.605
local terms energy: -99.633628
where:
bonds (distance) C4'-P energy: -20.151
bonds (distance) P-C4' energy: -22.357
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -19.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -262.987730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.987730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.987730 (E_RNA)
where:
Base-Base interactions energy: -149.878
where: short stacking energy: -80.234
Base-Backbone interact. energy: -0.787
local terms energy: -112.323254
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -28.370
flat angles C4'-P-C4' energy: -26.973
flat angles P-C4'-P energy: -17.554
tors. eta vs tors. theta energy: -22.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -247.504992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.504992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.504992 (E_RNA)
where:
Base-Base interactions energy: -144.356
where: short stacking energy: -81.895
Base-Backbone interact. energy: -1.647
local terms energy: -101.502061
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -155.672904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.672904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.672904 (E_RNA)
where:
Base-Base interactions energy: -63.313
where: short stacking energy: -59.650
Base-Backbone interact. energy: -0.176
local terms energy: -92.184163
where:
bonds (distance) C4'-P energy: -24.224
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -24.429
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -132.007994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.007994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.007994 (E_RNA)
where:
Base-Base interactions energy: -52.792
where: short stacking energy: -42.521
Base-Backbone interact. energy: 0.618
local terms energy: -79.834511
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -27.256
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -14.968
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: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -119.268397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.268397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.268397 (E_RNA)
where:
Base-Base interactions energy: -44.813
where: short stacking energy: -39.237
Base-Backbone interact. energy: -0.428
local terms energy: -74.026733
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -23.955
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -429.517976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.517976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.517976 (E_RNA)
where:
Base-Base interactions energy: -286.603
where: short stacking energy: -133.523
Base-Backbone interact. energy: -0.214
local terms energy: -142.701540
where:
bonds (distance) C4'-P energy: -26.513
bonds (distance) P-C4' energy: -26.959
flat angles C4'-P-C4' energy: -30.062
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -42.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -418.379856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.379856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.379856 (E_RNA)
where:
Base-Base interactions energy: -290.606
where: short stacking energy: -139.445
Base-Backbone interact. energy: -0.255
local terms energy: -127.518525
where:
bonds (distance) C4'-P energy: -23.429
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -27.087
flat angles P-C4'-P energy: -20.592
tors. eta vs tors. theta energy: -38.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -350.053753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.053753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.053753 (E_RNA)
where:
Base-Base interactions energy: -217.105
where: short stacking energy: -120.362
Base-Backbone interact. energy: 0.925
local terms energy: -133.873832
where:
bonds (distance) C4'-P energy: -27.384
bonds (distance) P-C4' energy: -22.978
flat angles C4'-P-C4' energy: -29.443
flat angles P-C4'-P energy: -17.873
tors. eta vs tors. theta energy: -36.197
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: 4, replica: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -332.382663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.382663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.382663 (E_RNA)
where:
Base-Base interactions energy: -205.475
where: short stacking energy: -114.248
Base-Backbone interact. energy: -0.050
local terms energy: -126.857919
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -30.369
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -31.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -283.241801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.241801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.241801 (E_RNA)
where:
Base-Base interactions energy: -171.900
where: short stacking energy: -100.908
Base-Backbone interact. energy: -0.373
local terms energy: -110.968224
where:
bonds (distance) C4'-P energy: -24.759
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -25.606
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -18.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -253.105312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.105312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.105312 (E_RNA)
where:
Base-Base interactions energy: -148.577
where: short stacking energy: -87.415
Base-Backbone interact. energy: -0.533
local terms energy: -103.995500
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -25.154
flat angles P-C4'-P energy: -20.182
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -254.224123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.224123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.224123 (E_RNA)
where:
Base-Base interactions energy: -155.797
where: short stacking energy: -88.358
Base-Backbone interact. energy: -0.104
local terms energy: -98.322988
where:
bonds (distance) C4'-P energy: -24.732
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -24.071
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -18.859
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: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -137.360148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.360148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.360148 (E_RNA)
where:
Base-Base interactions energy: -56.607
where: short stacking energy: -56.349
Base-Backbone interact. energy: -0.360
local terms energy: -80.393033
where:
bonds (distance) C4'-P energy: -21.421
bonds (distance) P-C4' energy: -27.563
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -119.591491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.591491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.591491 (E_RNA)
where:
Base-Base interactions energy: -44.354
where: short stacking energy: -42.392
Base-Backbone interact. energy: -0.566
local terms energy: -74.670875
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -28.471
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -1.586
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: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -125.330592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.330592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.330592 (E_RNA)
where:
Base-Base interactions energy: -46.221
where: short stacking energy: -39.762
Base-Backbone interact. energy: -0.178
local terms energy: -78.931768
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -27.793
flat angles C4'-P-C4' energy: -22.971
flat angles P-C4'-P energy: -14.739
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -427.510360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.510360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.510360 (E_RNA)
where:
Base-Base interactions energy: -282.958
where: short stacking energy: -135.724
Base-Backbone interact. energy: -1.191
local terms energy: -143.361524
where:
bonds (distance) C4'-P energy: -28.380
bonds (distance) P-C4' energy: -26.322
flat angles C4'-P-C4' energy: -27.609
flat angles P-C4'-P energy: -19.574
tors. eta vs tors. theta energy: -41.477
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: 2, replica: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -389.164702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.164702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.164702 (E_RNA)
where:
Base-Base interactions energy: -242.949
where: short stacking energy: -127.335
Base-Backbone interact. energy: 0.503
local terms energy: -146.718643
where:
bonds (distance) C4'-P energy: -26.198
bonds (distance) P-C4' energy: -30.591
flat angles C4'-P-C4' energy: -31.706
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -36.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -362.191855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.191855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.191855 (E_RNA)
where:
Base-Base interactions energy: -231.509
where: short stacking energy: -124.812
Base-Backbone interact. energy: -0.011
local terms energy: -130.671222
where:
bonds (distance) C4'-P energy: -26.699
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -25.629
flat angles P-C4'-P energy: -20.075
tors. eta vs tors. theta energy: -34.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -307.989052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.989052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.989052 (E_RNA)
where:
Base-Base interactions energy: -177.677
where: short stacking energy: -103.451
Base-Backbone interact. energy: -0.577
local terms energy: -129.735142
where:
bonds (distance) C4'-P energy: -23.368
bonds (distance) P-C4' energy: -25.940
flat angles C4'-P-C4' energy: -31.854
flat angles P-C4'-P energy: -17.614
tors. eta vs tors. theta energy: -30.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -307.782539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.782539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.782539 (E_RNA)
where:
Base-Base interactions energy: -204.463
where: short stacking energy: -106.465
Base-Backbone interact. energy: -1.067
local terms energy: -102.253258
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -21.283
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -29.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -288.275596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.275596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.275596 (E_RNA)
where:
Base-Base interactions energy: -179.830
where: short stacking energy: -101.098
Base-Backbone interact. energy: -1.145
local terms energy: -107.300382
where:
bonds (distance) C4'-P energy: -20.478
bonds (distance) P-C4' energy: -25.560
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -16.673
tors. eta vs tors. theta energy: -23.819
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: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -238.789412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.789412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.789412 (E_RNA)
where:
Base-Base interactions energy: -136.888
where: short stacking energy: -75.642
Base-Backbone interact. energy: -0.470
local terms energy: -101.430710
where:
bonds (distance) C4'-P energy: -23.152
bonds (distance) P-C4' energy: -26.181
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -143.551662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.551662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.551662 (E_RNA)
where:
Base-Base interactions energy: -56.948
where: short stacking energy: -52.948
Base-Backbone interact. energy: -0.404
local terms energy: -86.199730
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -15.471
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: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -134.971635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.971635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.971635 (E_RNA)
where:
Base-Base interactions energy: -54.808
where: short stacking energy: -42.873
Base-Backbone interact. energy: 0.524
local terms energy: -80.687755
where:
bonds (distance) C4'-P energy: -24.156
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -7.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -124.746119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.746119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.746119 (E_RNA)
where:
Base-Base interactions energy: -65.889
where: short stacking energy: -45.840
Base-Backbone interact. energy: 8.422
local terms energy: -67.278550
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -23.446
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: 0.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -424.449398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.449398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.449398 (E_RNA)
where:
Base-Base interactions energy: -279.369
where: short stacking energy: -149.018
Base-Backbone interact. energy: -0.005
local terms energy: -145.075604
where:
bonds (distance) C4'-P energy: -27.242
bonds (distance) P-C4' energy: -22.903
flat angles C4'-P-C4' energy: -29.701
flat angles P-C4'-P energy: -22.223
tors. eta vs tors. theta energy: -43.007
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: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -384.358609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.358609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.358609 (E_RNA)
where:
Base-Base interactions energy: -245.799
where: short stacking energy: -125.559
Base-Backbone interact. energy: 0.366
local terms energy: -138.925718
where:
bonds (distance) C4'-P energy: -25.905
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -30.097
flat angles P-C4'-P energy: -22.958
tors. eta vs tors. theta energy: -31.409
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: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -308.394386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.394386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.394386 (E_RNA)
where:
Base-Base interactions energy: -194.903
where: short stacking energy: -116.872
Base-Backbone interact. energy: -1.966
local terms energy: -111.525305
where:
bonds (distance) C4'-P energy: -25.627
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -28.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -346.733143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.733143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.733143 (E_RNA)
where:
Base-Base interactions energy: -221.925
where: short stacking energy: -122.749
Base-Backbone interact. energy: -0.542
local terms energy: -124.266307
where:
bonds (distance) C4'-P energy: -27.359
bonds (distance) P-C4' energy: -24.180
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -18.555
tors. eta vs tors. theta energy: -30.224
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: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -284.522843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.522843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.522843 (E_RNA)
where:
Base-Base interactions energy: -171.542
where: short stacking energy: -94.490
Base-Backbone interact. energy: -2.018
local terms energy: -110.963363
where:
bonds (distance) C4'-P energy: -26.692
bonds (distance) P-C4' energy: -27.500
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -22.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -314.252798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.252798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.252798 (E_RNA)
where:
Base-Base interactions energy: -204.292
where: short stacking energy: -108.674
Base-Backbone interact. energy: -0.798
local terms energy: -109.163556
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -28.180
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -22.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -225.428176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.428176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.428176 (E_RNA)
where:
Base-Base interactions energy: -136.684
where: short stacking energy: -71.477
Base-Backbone interact. energy: -0.535
local terms energy: -88.209522
where:
bonds (distance) C4'-P energy: -21.458
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -21.237
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -156.372891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.372891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.372891 (E_RNA)
where:
Base-Base interactions energy: -72.263
where: short stacking energy: -62.358
Base-Backbone interact. energy: 1.843
local terms energy: -85.953645
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -26.133
flat angles C4'-P-C4' energy: -26.740
flat angles P-C4'-P energy: -2.359
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -130.789924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.789924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.789924 (E_RNA)
where:
Base-Base interactions energy: -48.543
where: short stacking energy: -39.330
Base-Backbone interact. energy: -0.699
local terms energy: -81.548396
where:
bonds (distance) C4'-P energy: -23.958
bonds (distance) P-C4' energy: -22.749
flat angles C4'-P-C4' energy: -24.317
flat angles P-C4'-P energy: -13.136
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: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -122.857149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.857149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.857149 (E_RNA)
where:
Base-Base interactions energy: -42.454
where: short stacking energy: -32.539
Base-Backbone interact. energy: -0.664
local terms energy: -79.739415
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -30.155
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -9.895
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -428.825139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.825139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.825139 (E_RNA)
where:
Base-Base interactions energy: -285.075
where: short stacking energy: -141.634
Base-Backbone interact. energy: -0.604
local terms energy: -143.145861
where:
bonds (distance) C4'-P energy: -23.577
bonds (distance) P-C4' energy: -27.340
flat angles C4'-P-C4' energy: -29.280
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -42.466
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: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -385.453428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.453428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.453428 (E_RNA)
where:
Base-Base interactions energy: -256.092
where: short stacking energy: -121.887
Base-Backbone interact. energy: -0.223
local terms energy: -129.138320
where:
bonds (distance) C4'-P energy: -23.913
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -26.074
flat angles P-C4'-P energy: -19.645
tors. eta vs tors. theta energy: -33.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -316.669385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.669385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.669385 (E_RNA)
where:
Base-Base interactions energy: -194.356
where: short stacking energy: -106.221
Base-Backbone interact. energy: -0.743
local terms energy: -121.570646
where:
bonds (distance) C4'-P energy: -23.566
bonds (distance) P-C4' energy: -26.991
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -28.701
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: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -341.020891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.020891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.020891 (E_RNA)
where:
Base-Base interactions energy: -213.748
where: short stacking energy: -120.060
Base-Backbone interact. energy: -1.023
local terms energy: -126.249860
where:
bonds (distance) C4'-P energy: -27.467
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -30.043
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -30.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -284.376415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.376415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.376415 (E_RNA)
where:
Base-Base interactions energy: -160.768
where: short stacking energy: -93.621
Base-Backbone interact. energy: 0.487
local terms energy: -124.094916
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -29.033
flat angles C4'-P-C4' energy: -27.510
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -27.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -299.885996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.885996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.885996 (E_RNA)
where:
Base-Base interactions energy: -187.871
where: short stacking energy: -95.981
Base-Backbone interact. energy: -0.662
local terms energy: -111.353547
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -29.599
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -23.405
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: 7, replica: 5
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -243.604614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.604614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.604614 (E_RNA)
where:
Base-Base interactions energy: -147.580
where: short stacking energy: -69.664
Base-Backbone interact. energy: 2.756
local terms energy: -98.780720
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -24.980
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -13.075
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: 8, replica: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -138.204925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.204925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.204925 (E_RNA)
where:
Base-Base interactions energy: -58.809
where: short stacking energy: -51.319
Base-Backbone interact. energy: -0.961
local terms energy: -78.434414
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -28.296
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -144.478021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.478021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.478021 (E_RNA)
where:
Base-Base interactions energy: -64.854
where: short stacking energy: -50.141
Base-Backbone interact. energy: 0.018
local terms energy: -79.642080
where:
bonds (distance) C4'-P energy: -26.274
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -24.632
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -132.556637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.556637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.556637 (E_RNA)
where:
Base-Base interactions energy: -45.400
where: short stacking energy: -44.768
Base-Backbone interact. energy: -0.231
local terms energy: -86.926413
where:
bonds (distance) C4'-P energy: -23.648
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -404.335061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.335061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.335061 (E_RNA)
where:
Base-Base interactions energy: -271.658
where: short stacking energy: -131.700
Base-Backbone interact. energy: -0.410
local terms energy: -132.266752
where:
bonds (distance) C4'-P energy: -22.057
bonds (distance) P-C4' energy: -27.072
flat angles C4'-P-C4' energy: -27.949
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -36.474
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: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -417.519709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.519709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.519709 (E_RNA)
where:
Base-Base interactions energy: -272.433
where: short stacking energy: -140.407
Base-Backbone interact. energy: -0.085
local terms energy: -145.002672
where:
bonds (distance) C4'-P energy: -21.422
bonds (distance) P-C4' energy: -30.682
flat angles C4'-P-C4' energy: -30.006
flat angles P-C4'-P energy: -19.483
tors. eta vs tors. theta energy: -43.409
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: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -334.721932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.721932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.721932 (E_RNA)
where:
Base-Base interactions energy: -201.862
where: short stacking energy: -120.497
Base-Backbone interact. energy: -0.964
local terms energy: -131.895447
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -24.288
flat angles C4'-P-C4' energy: -27.403
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -33.076
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: 4, replica: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -315.414186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.414186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.414186 (E_RNA)
where:
Base-Base interactions energy: -190.109
where: short stacking energy: -106.218
Base-Backbone interact. energy: -0.316
local terms energy: -124.989757
where:
bonds (distance) C4'-P energy: -24.273
bonds (distance) P-C4' energy: -22.246
flat angles C4'-P-C4' energy: -27.724
flat angles P-C4'-P energy: -20.794
tors. eta vs tors. theta energy: -29.954
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: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -310.571065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.571065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.571065 (E_RNA)
where:
Base-Base interactions energy: -195.617
where: short stacking energy: -103.687
Base-Backbone interact. energy: -0.232
local terms energy: -114.722578
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -24.785
flat angles C4'-P-C4' energy: -27.010
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: -21.495
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: 3
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -272.405493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.405493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.405493 (E_RNA)
where:
Base-Base interactions energy: -161.087
where: short stacking energy: -78.764
Base-Backbone interact. energy: 1.078
local terms energy: -112.396340
where:
bonds (distance) C4'-P energy: -22.061
bonds (distance) P-C4' energy: -26.845
flat angles C4'-P-C4' energy: -24.391
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -24.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -262.065474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.065474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.065474 (E_RNA)
where:
Base-Base interactions energy: -156.395
where: short stacking energy: -86.370
Base-Backbone interact. energy: -0.227
local terms energy: -105.443673
where:
bonds (distance) C4'-P energy: -24.560
bonds (distance) P-C4' energy: -25.677
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -19.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -158.443859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.443859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.443859 (E_RNA)
where:
Base-Base interactions energy: -65.503
where: short stacking energy: -65.032
Base-Backbone interact. energy: 0.781
local terms energy: -93.722264
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -27.611
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -7.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -142.036257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.036257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.036257 (E_RNA)
where:
Base-Base interactions energy: -64.024
where: short stacking energy: -64.024
Base-Backbone interact. energy: -0.443
local terms energy: -77.569484
where:
bonds (distance) C4'-P energy: -22.316
bonds (distance) P-C4' energy: -26.751
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -124.868516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.868516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.868516 (E_RNA)
where:
Base-Base interactions energy: -48.610
where: short stacking energy: -43.477
Base-Backbone interact. energy: 3.209
local terms energy: -79.467708
where:
bonds (distance) C4'-P energy: -26.939
bonds (distance) P-C4' energy: -20.946
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -0.210
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -404.843011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.843011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.843011 (E_RNA)
where:
Base-Base interactions energy: -274.217
where: short stacking energy: -136.265
Base-Backbone interact. energy: -1.040
local terms energy: -129.586369
where:
bonds (distance) C4'-P energy: -24.360
bonds (distance) P-C4' energy: -22.301
flat angles C4'-P-C4' energy: -27.851
flat angles P-C4'-P energy: -17.635
tors. eta vs tors. theta energy: -37.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -423.278090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.278090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.278090 (E_RNA)
where:
Base-Base interactions energy: -284.105
where: short stacking energy: -143.724
Base-Backbone interact. energy: -0.460
local terms energy: -138.713031
where:
bonds (distance) C4'-P energy: -24.418
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -29.883
flat angles P-C4'-P energy: -18.044
tors. eta vs tors. theta energy: -42.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -357.374260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.374260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.374260 (E_RNA)
where:
Base-Base interactions energy: -226.250
where: short stacking energy: -126.201
Base-Backbone interact. energy: -0.119
local terms energy: -131.005125
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -26.902
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -34.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -316.040419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.040419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.040419 (E_RNA)
where:
Base-Base interactions energy: -199.117
where: short stacking energy: -113.924
Base-Backbone interact. energy: -0.030
local terms energy: -116.892730
where:
bonds (distance) C4'-P energy: -24.083
bonds (distance) P-C4' energy: -21.055
flat angles C4'-P-C4' energy: -25.631
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -31.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -278.745605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.745605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.745605 (E_RNA)
where:
Base-Base interactions energy: -172.051
where: short stacking energy: -88.292
Base-Backbone interact. energy: -0.619
local terms energy: -106.076217
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -24.583
flat angles C4'-P-C4' energy: -24.403
flat angles P-C4'-P energy: -18.047
tors. eta vs tors. theta energy: -17.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -285.332856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.332856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.332856 (E_RNA)
where:
Base-Base interactions energy: -175.682
where: short stacking energy: -92.311
Base-Backbone interact. energy: -0.217
local terms energy: -109.433433
where:
bonds (distance) C4'-P energy: -25.323
bonds (distance) P-C4' energy: -26.807
flat angles C4'-P-C4' energy: -24.306
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -20.490
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: 5
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -247.521366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.521366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.521366 (E_RNA)
where:
Base-Base interactions energy: -147.354
where: short stacking energy: -79.039
Base-Backbone interact. energy: -0.284
local terms energy: -99.883641
where:
bonds (distance) C4'-P energy: -25.380
bonds (distance) P-C4' energy: -24.750
flat angles C4'-P-C4' energy: -22.112
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -150.040436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.040436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.040436 (E_RNA)
where:
Base-Base interactions energy: -62.295
where: short stacking energy: -61.498
Base-Backbone interact. energy: -0.237
local terms energy: -87.508320
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -28.456
flat angles P-C4'-P energy: -18.163
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: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -134.105077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.105077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.105077 (E_RNA)
where:
Base-Base interactions energy: -56.097
where: short stacking energy: -56.489
Base-Backbone interact. energy: -0.142
local terms energy: -77.865931
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -23.865
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -136.776336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.776336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.776336 (E_RNA)
where:
Base-Base interactions energy: -60.847
where: short stacking energy: -56.543
Base-Backbone interact. energy: 0.242
local terms energy: -76.170486
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -28.368
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -6.480
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -428.695926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.695926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.695926 (E_RNA)
where:
Base-Base interactions energy: -292.491
where: short stacking energy: -149.245
Base-Backbone interact. energy: -0.281
local terms energy: -135.924507
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -26.669
flat angles C4'-P-C4' energy: -29.552
flat angles P-C4'-P energy: -20.551
tors. eta vs tors. theta energy: -43.796
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: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -378.384002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.384002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.384002 (E_RNA)
where:
Base-Base interactions energy: -256.856
where: short stacking energy: -118.466
Base-Backbone interact. energy: -1.718
local terms energy: -119.809639
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -28.547
flat angles C4'-P-C4' energy: -27.244
flat angles P-C4'-P energy: -17.028
tors. eta vs tors. theta energy: -29.944
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: 342
Temperature: 1.000000
Total energy: -355.055396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.055396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.055396 (E_RNA)
where:
Base-Base interactions energy: -223.564
where: short stacking energy: -116.938
Base-Backbone interact. energy: -1.353
local terms energy: -130.138274
where:
bonds (distance) C4'-P energy: -23.983
bonds (distance) P-C4' energy: -25.581
flat angles C4'-P-C4' energy: -28.771
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -37.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -328.458803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.458803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.458803 (E_RNA)
where:
Base-Base interactions energy: -200.347
where: short stacking energy: -105.538
Base-Backbone interact. energy: -0.390
local terms energy: -127.721141
where:
bonds (distance) C4'-P energy: -27.247
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -25.878
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -30.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -285.061776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.061776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.061776 (E_RNA)
where:
Base-Base interactions energy: -177.624
where: short stacking energy: -108.570
Base-Backbone interact. energy: 0.578
local terms energy: -108.015648
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -23.535
flat angles C4'-P-C4' energy: -24.118
flat angles P-C4'-P energy: -16.017
tors. eta vs tors. theta energy: -23.771
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: 342
Temperature: 1.150000
Total energy: -272.594181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.594181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.594181 (E_RNA)
where:
Base-Base interactions energy: -167.732
where: short stacking energy: -88.674
Base-Backbone interact. energy: -0.011
local terms energy: -104.850708
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -25.611
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -166.297615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.297615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.297615 (E_RNA)
where:
Base-Base interactions energy: -79.628
where: short stacking energy: -59.828
Base-Backbone interact. energy: -0.655
local terms energy: -86.015222
where:
bonds (distance) C4'-P energy: -21.974
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -3.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -230.271955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.271955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.271955 (E_RNA)
where:
Base-Base interactions energy: -134.595
where: short stacking energy: -80.360
Base-Backbone interact. energy: -0.259
local terms energy: -95.418387
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -16.344
tors. eta vs tors. theta energy: -19.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -130.348209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.348209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.348209 (E_RNA)
where:
Base-Base interactions energy: -62.363
where: short stacking energy: -36.892
Base-Backbone interact. energy: -1.644
local terms energy: -66.341486
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -23.546
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: 3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -127.422869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.422869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.422869 (E_RNA)
where:
Base-Base interactions energy: -56.896
where: short stacking energy: -43.685
Base-Backbone interact. energy: 0.293
local terms energy: -70.819864
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -1.377
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -433.194308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.194308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.194308 (E_RNA)
where:
Base-Base interactions energy: -280.593
where: short stacking energy: -149.595
Base-Backbone interact. energy: -0.239
local terms energy: -152.363122
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -30.020
flat angles P-C4'-P energy: -25.144
tors. eta vs tors. theta energy: -41.634
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: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -395.093907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.093907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.093907 (E_RNA)
where:
Base-Base interactions energy: -261.919
where: short stacking energy: -121.194
Base-Backbone interact. energy: -1.021
local terms energy: -132.153630
where:
bonds (distance) C4'-P energy: -24.155
bonds (distance) P-C4' energy: -26.970
flat angles C4'-P-C4' energy: -29.876
flat angles P-C4'-P energy: -20.971
tors. eta vs tors. theta energy: -30.182
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: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -336.392362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.392362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.392362 (E_RNA)
where:
Base-Base interactions energy: -209.645
where: short stacking energy: -107.938
Base-Backbone interact. energy: -2.687
local terms energy: -124.059761
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -31.846
flat angles P-C4'-P energy: -17.199
tors. eta vs tors. theta energy: -28.778
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: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -318.278691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.278691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.278691 (E_RNA)
where:
Base-Base interactions energy: -194.719
where: short stacking energy: -96.874
Base-Backbone interact. energy: -0.602
local terms energy: -122.957532
where:
bonds (distance) C4'-P energy: -24.562
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -28.016
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -28.219
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: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -286.381805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.381805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.381805 (E_RNA)
where:
Base-Base interactions energy: -167.448
where: short stacking energy: -96.241
Base-Backbone interact. energy: -0.165
local terms energy: -118.769471
where:
bonds (distance) C4'-P energy: -27.162
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -27.031
flat angles P-C4'-P energy: -20.566
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -285.219546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.219546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.219546 (E_RNA)
where:
Base-Base interactions energy: -184.922
where: short stacking energy: -101.112
Base-Backbone interact. energy: -0.840
local terms energy: -99.458396
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -25.771
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -18.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -155.069416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.069416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.069416 (E_RNA)
where:
Base-Base interactions energy: -69.563
where: short stacking energy: -60.766
Base-Backbone interact. energy: 1.490
local terms energy: -86.995737
where:
bonds (distance) C4'-P energy: -21.505
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -7.307
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: 8, replica: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -233.094414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.094414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.094414 (E_RNA)
where:
Base-Base interactions energy: -131.388
where: short stacking energy: -68.484
Base-Backbone interact. energy: -0.725
local terms energy: -100.981648
where:
bonds (distance) C4'-P energy: -21.760
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -123.787892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.787892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.787892 (E_RNA)
where:
Base-Base interactions energy: -51.467
where: short stacking energy: -47.701
Base-Backbone interact. energy: 2.528
local terms energy: -74.848340
where:
bonds (distance) C4'-P energy: -24.808
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: 2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -130.724485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.724485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.724485 (E_RNA)
where:
Base-Base interactions energy: -44.421
where: short stacking energy: -44.421
Base-Backbone interact. energy: -0.334
local terms energy: -85.969479
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -25.420
flat angles P-C4'-P energy: -14.756
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -425.079731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.079731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.079731 (E_RNA)
where:
Base-Base interactions energy: -281.326
where: short stacking energy: -143.373
Base-Backbone interact. energy: -1.301
local terms energy: -142.452182
where:
bonds (distance) C4'-P energy: -23.333
bonds (distance) P-C4' energy: -26.397
flat angles C4'-P-C4' energy: -28.781
flat angles P-C4'-P energy: -23.714
tors. eta vs tors. theta energy: -40.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -386.864181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.864181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.864181 (E_RNA)
where:
Base-Base interactions energy: -257.366
where: short stacking energy: -114.032
Base-Backbone interact. energy: -0.393
local terms energy: -129.104842
where:
bonds (distance) C4'-P energy: -30.752
bonds (distance) P-C4' energy: -30.197
flat angles C4'-P-C4' energy: -22.109
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -30.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -337.896737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.896737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.896737 (E_RNA)
where:
Base-Base interactions energy: -218.384
where: short stacking energy: -122.682
Base-Backbone interact. energy: -0.139
local terms energy: -119.373666
where:
bonds (distance) C4'-P energy: -25.681
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -25.350
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -29.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -322.317171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.317171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.317171 (E_RNA)
where:
Base-Base interactions energy: -208.131
where: short stacking energy: -115.785
Base-Backbone interact. energy: -1.058
local terms energy: -113.128114
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -21.475
flat angles C4'-P-C4' energy: -23.487
flat angles P-C4'-P energy: -15.171
tors. eta vs tors. theta energy: -27.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -290.861217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.861217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.861217 (E_RNA)
where:
Base-Base interactions energy: -184.586
where: short stacking energy: -111.289
Base-Backbone interact. energy: -0.315
local terms energy: -105.959976
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -23.418
flat angles C4'-P-C4' energy: -23.255
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -30.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -295.429899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.429899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.429899 (E_RNA)
where:
Base-Base interactions energy: -176.962
where: short stacking energy: -98.683
Base-Backbone interact. energy: -1.002
local terms energy: -117.465204
where:
bonds (distance) C4'-P energy: -25.147
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -25.382
flat angles P-C4'-P energy: -22.816
tors. eta vs tors. theta energy: -23.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -243.587352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.587352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.587352 (E_RNA)
where:
Base-Base interactions energy: -142.281
where: short stacking energy: -81.282
Base-Backbone interact. energy: -0.148
local terms energy: -101.157969
where:
bonds (distance) C4'-P energy: -26.912
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -135.671661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.671661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.671661 (E_RNA)
where:
Base-Base interactions energy: -56.366
where: short stacking energy: -54.293
Base-Backbone interact. energy: -0.118
local terms energy: -79.187468
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -8.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -126.882517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.882517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.882517 (E_RNA)
where:
Base-Base interactions energy: -45.057
where: short stacking energy: -43.490
Base-Backbone interact. energy: -0.086
local terms energy: -81.739780
where:
bonds (distance) C4'-P energy: -25.624
bonds (distance) P-C4' energy: -23.065
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -15.836
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: 10, replica: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -126.148808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.148808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.148808 (E_RNA)
where:
Base-Base interactions energy: -44.470
where: short stacking energy: -39.362
Base-Backbone interact. energy: -0.106
local terms energy: -81.573218
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -20.685
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -11.048
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -429.038486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.038486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.038486 (E_RNA)
where:
Base-Base interactions energy: -282.351
where: short stacking energy: -146.203
Base-Backbone interact. energy: -0.001
local terms energy: -146.686365
where:
bonds (distance) C4'-P energy: -29.669
bonds (distance) P-C4' energy: -25.403
flat angles C4'-P-C4' energy: -28.680
flat angles P-C4'-P energy: -21.075
tors. eta vs tors. theta energy: -41.859
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: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -344.803031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.803031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.803031 (E_RNA)
where:
Base-Base interactions energy: -222.782
where: short stacking energy: -119.315
Base-Backbone interact. energy: -0.094
local terms energy: -121.927010
where:
bonds (distance) C4'-P energy: -21.305
bonds (distance) P-C4' energy: -25.689
flat angles C4'-P-C4' energy: -24.222
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -32.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -376.660354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.660354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.660354 (E_RNA)
where:
Base-Base interactions energy: -252.106
where: short stacking energy: -121.454
Base-Backbone interact. energy: -1.683
local terms energy: -122.871144
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -26.841
flat angles P-C4'-P energy: -21.163
tors. eta vs tors. theta energy: -31.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -324.516198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.516198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.516198 (E_RNA)
where:
Base-Base interactions energy: -205.835
where: short stacking energy: -110.201
Base-Backbone interact. energy: -0.206
local terms energy: -118.475105
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -28.457
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -28.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -282.040978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.040978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.040978 (E_RNA)
where:
Base-Base interactions energy: -173.350
where: short stacking energy: -95.178
Base-Backbone interact. energy: -0.455
local terms energy: -108.236021
where:
bonds (distance) C4'-P energy: -24.079
bonds (distance) P-C4' energy: -25.091
flat angles C4'-P-C4' energy: -25.309
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -287.434367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.434367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.434367 (E_RNA)
where:
Base-Base interactions energy: -171.643
where: short stacking energy: -100.612
Base-Backbone interact. energy: -0.382
local terms energy: -115.409155
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -28.293
flat angles C4'-P-C4' energy: -24.401
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -23.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -235.190750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.190750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.190750 (E_RNA)
where:
Base-Base interactions energy: -140.479
where: short stacking energy: -80.597
Base-Backbone interact. energy: -0.016
local terms energy: -94.695812
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -20.497
flat angles C4'-P-C4' energy: -22.792
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -14.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -146.520076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.520076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.520076 (E_RNA)
where:
Base-Base interactions energy: -60.444
where: short stacking energy: -46.653
Base-Backbone interact. energy: 0.803
local terms energy: -86.878827
where:
bonds (distance) C4'-P energy: -21.132
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -18.895
tors. eta vs tors. theta energy: -7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -174.978364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.978364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.978364 (E_RNA)
where:
Base-Base interactions energy: -93.912
where: short stacking energy: -56.046
Base-Backbone interact. energy: 0.344
local terms energy: -81.410196
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -25.017
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -5.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -119.640708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.640708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.640708 (E_RNA)
where:
Base-Base interactions energy: -46.205
where: short stacking energy: -44.777
Base-Backbone interact. energy: -0.517
local terms energy: -72.919327
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -24.544
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: 0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -417.107114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.107114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.107114 (E_RNA)
where:
Base-Base interactions energy: -280.832
where: short stacking energy: -132.409
Base-Backbone interact. energy: -0.008
local terms energy: -136.266948
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -29.356
flat angles P-C4'-P energy: -19.937
tors. eta vs tors. theta energy: -39.251
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: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -363.517021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.517021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.517021 (E_RNA)
where:
Base-Base interactions energy: -222.614
where: short stacking energy: -117.322
Base-Backbone interact. energy: -0.347
local terms energy: -140.556791
where:
bonds (distance) C4'-P energy: -24.163
bonds (distance) P-C4' energy: -24.030
flat angles C4'-P-C4' energy: -29.858
flat angles P-C4'-P energy: -24.302
tors. eta vs tors. theta energy: -38.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -339.502986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.502986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.502986 (E_RNA)
where:
Base-Base interactions energy: -213.704
where: short stacking energy: -120.264
Base-Backbone interact. energy: -2.103
local terms energy: -123.695710
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -26.233
flat angles C4'-P-C4' energy: -27.984
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -32.722
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: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -364.525746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.525746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.525746 (E_RNA)
where:
Base-Base interactions energy: -234.123
where: short stacking energy: -123.261
Base-Backbone interact. energy: -1.645
local terms energy: -128.757263
where:
bonds (distance) C4'-P energy: -27.271
bonds (distance) P-C4' energy: -25.729
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -21.958
tors. eta vs tors. theta energy: -32.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -281.545223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.545223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.545223 (E_RNA)
where:
Base-Base interactions energy: -168.574
where: short stacking energy: -80.446
Base-Backbone interact. energy: -0.371
local terms energy: -112.599947
where:
bonds (distance) C4'-P energy: -28.195
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -25.566
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -23.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -285.651901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.651901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.651901 (E_RNA)
where:
Base-Base interactions energy: -172.998
where: short stacking energy: -98.654
Base-Backbone interact. energy: -0.256
local terms energy: -112.397381
where:
bonds (distance) C4'-P energy: -23.209
bonds (distance) P-C4' energy: -24.518
flat angles C4'-P-C4' energy: -25.448
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -27.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -256.649155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.649155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.649155 (E_RNA)
where:
Base-Base interactions energy: -162.442
where: short stacking energy: -73.847
Base-Backbone interact. energy: -0.655
local terms energy: -93.552613
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -27.364
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -10.641
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: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -139.923904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.923904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.923904 (E_RNA)
where:
Base-Base interactions energy: -47.056
where: short stacking energy: -43.281
Base-Backbone interact. energy: -0.511
local terms energy: -92.356631
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -28.525
flat angles C4'-P-C4' energy: -26.570
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -137.453351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.453351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.453351 (E_RNA)
where:
Base-Base interactions energy: -51.934
where: short stacking energy: -46.311
Base-Backbone interact. energy: -1.559
local terms energy: -83.960898
where:
bonds (distance) C4'-P energy: -24.402
bonds (distance) P-C4' energy: -24.649
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -132.928492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.928492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.928492 (E_RNA)
where:
Base-Base interactions energy: -56.594
where: short stacking energy: -53.976
Base-Backbone interact. energy: -1.006
local terms energy: -75.328492
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -7.377
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -413.687380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.687380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.687380 (E_RNA)
where:
Base-Base interactions energy: -272.552
where: short stacking energy: -137.460
Base-Backbone interact. energy: -0.044
local terms energy: -141.091761
where:
bonds (distance) C4'-P energy: -27.689
bonds (distance) P-C4' energy: -26.091
flat angles C4'-P-C4' energy: -26.518
flat angles P-C4'-P energy: -20.539
tors. eta vs tors. theta energy: -40.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -352.692120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.692120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.692120 (E_RNA)
where:
Base-Base interactions energy: -223.570
where: short stacking energy: -118.225
Base-Backbone interact. energy: -0.062
local terms energy: -129.060451
where:
bonds (distance) C4'-P energy: -24.161
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -30.750
flat angles P-C4'-P energy: -19.882
tors. eta vs tors. theta energy: -33.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -353.122676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.122676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.122676 (E_RNA)
where:
Base-Base interactions energy: -225.850
where: short stacking energy: -120.460
Base-Backbone interact. energy: -0.688
local terms energy: -126.584034
where:
bonds (distance) C4'-P energy: -24.957
bonds (distance) P-C4' energy: -24.132
flat angles C4'-P-C4' energy: -26.965
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -33.665
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: 4, replica: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -368.464425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.464425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.464425 (E_RNA)
where:
Base-Base interactions energy: -246.232
where: short stacking energy: -119.284
Base-Backbone interact. energy: -0.231
local terms energy: -122.000888
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -26.158
flat angles C4'-P-C4' energy: -27.715
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -34.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -302.690091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.690091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.690091 (E_RNA)
where:
Base-Base interactions energy: -190.904
where: short stacking energy: -105.253
Base-Backbone interact. energy: -2.272
local terms energy: -109.514063
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -28.349
flat angles P-C4'-P energy: -17.844
tors. eta vs tors. theta energy: -24.196
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: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -271.269973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.269973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.269973 (E_RNA)
where:
Base-Base interactions energy: -174.597
where: short stacking energy: -94.610
Base-Backbone interact. energy: -0.360
local terms energy: -96.312882
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -24.942
flat angles C4'-P-C4' energy: -20.209
flat angles P-C4'-P energy: -18.258
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -246.698842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.698842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.698842 (E_RNA)
where:
Base-Base interactions energy: -137.905
where: short stacking energy: -77.001
Base-Backbone interact. energy: 0.457
local terms energy: -109.251135
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -24.243
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -15.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -150.635617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.635617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.635617 (E_RNA)
where:
Base-Base interactions energy: -70.375
where: short stacking energy: -55.543
Base-Backbone interact. energy: 0.830
local terms energy: -81.090714
where:
bonds (distance) C4'-P energy: -23.802
bonds (distance) P-C4' energy: -24.993
flat angles C4'-P-C4' energy: -24.999
flat angles P-C4'-P energy: -6.866
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: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -135.322168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.322168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.322168 (E_RNA)
where:
Base-Base interactions energy: -50.189
where: short stacking energy: -48.094
Base-Backbone interact. energy: -0.295
local terms energy: -84.838685
where:
bonds (distance) C4'-P energy: -21.127
bonds (distance) P-C4' energy: -26.161
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -17.302
tors. eta vs tors. theta energy: -4.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -130.344019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.344019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.344019 (E_RNA)
where:
Base-Base interactions energy: -45.507
where: short stacking energy: -45.507
Base-Backbone interact. energy: -0.091
local terms energy: -84.745533
where:
bonds (distance) C4'-P energy: -21.368
bonds (distance) P-C4' energy: -28.126
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -436.583001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.583001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.583001 (E_RNA)
where:
Base-Base interactions energy: -283.138
where: short stacking energy: -145.434
Base-Backbone interact. energy: -0.415
local terms energy: -153.029467
where:
bonds (distance) C4'-P energy: -28.239
bonds (distance) P-C4' energy: -28.008
flat angles C4'-P-C4' energy: -31.176
flat angles P-C4'-P energy: -21.751
tors. eta vs tors. theta energy: -43.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -349.279353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.279353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.279353 (E_RNA)
where:
Base-Base interactions energy: -217.876
where: short stacking energy: -111.005
Base-Backbone interact. energy: -0.174
local terms energy: -131.229050
where:
bonds (distance) C4'-P energy: -24.299
bonds (distance) P-C4' energy: -25.715
flat angles C4'-P-C4' energy: -28.525
flat angles P-C4'-P energy: -20.198
tors. eta vs tors. theta energy: -32.493
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: 3, replica: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -379.798842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.798842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.798842 (E_RNA)
where:
Base-Base interactions energy: -250.426
where: short stacking energy: -115.996
Base-Backbone interact. energy: -0.161
local terms energy: -129.212629
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -27.934
flat angles C4'-P-C4' energy: -28.457
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -29.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -345.814036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.814036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.814036 (E_RNA)
where:
Base-Base interactions energy: -222.373
where: short stacking energy: -117.988
Base-Backbone interact. energy: -0.617
local terms energy: -122.823353
where:
bonds (distance) C4'-P energy: -24.028
bonds (distance) P-C4' energy: -20.382
flat angles C4'-P-C4' energy: -27.616
flat angles P-C4'-P energy: -20.840
tors. eta vs tors. theta energy: -29.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -291.378037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.378037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.378037 (E_RNA)
where:
Base-Base interactions energy: -168.574
where: short stacking energy: -99.235
Base-Backbone interact. energy: -1.020
local terms energy: -121.784488
where:
bonds (distance) C4'-P energy: -23.726
bonds (distance) P-C4' energy: -22.351
flat angles C4'-P-C4' energy: -30.607
flat angles P-C4'-P energy: -20.268
tors. eta vs tors. theta energy: -24.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -298.579931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.579931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.579931 (E_RNA)
where:
Base-Base interactions energy: -188.309
where: short stacking energy: -104.929
Base-Backbone interact. energy: -0.166
local terms energy: -110.105635
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -25.944
flat angles C4'-P-C4' energy: -28.780
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -22.330
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: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -246.354777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.354777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.354777 (E_RNA)
where:
Base-Base interactions energy: -151.079
where: short stacking energy: -72.692
Base-Backbone interact. energy: -0.272
local terms energy: -95.004280
where:
bonds (distance) C4'-P energy: -28.911
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -22.931
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -149.750461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.750461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.750461 (E_RNA)
where:
Base-Base interactions energy: -50.679
where: short stacking energy: -50.679
Base-Backbone interact. energy: 1.001
local terms energy: -100.072046
where:
bonds (distance) C4'-P energy: -24.401
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -132.016631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.016631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.016631 (E_RNA)
where:
Base-Base interactions energy: -46.803
where: short stacking energy: -45.550
Base-Backbone interact. energy: -0.530
local terms energy: -84.684326
where:
bonds (distance) C4'-P energy: -27.917
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: 0.952
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: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -116.610869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.610869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.610869 (E_RNA)
where:
Base-Base interactions energy: -38.740
where: short stacking energy: -35.763
Base-Backbone interact. energy: -0.216
local terms energy: -77.654730
where:
bonds (distance) C4'-P energy: -26.626
bonds (distance) P-C4' energy: -23.291
flat angles C4'-P-C4' energy: -24.848
flat angles P-C4'-P energy: -4.477
tors. eta vs tors. theta energy: 1.586
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -430.444426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.444426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.444426 (E_RNA)
where:
Base-Base interactions energy: -289.101
where: short stacking energy: -146.546
Base-Backbone interact. energy: -0.499
local terms energy: -140.844235
where:
bonds (distance) C4'-P energy: -23.604
bonds (distance) P-C4' energy: -25.921
flat angles C4'-P-C4' energy: -29.328
flat angles P-C4'-P energy: -19.372
tors. eta vs tors. theta energy: -42.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -395.822188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.822188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.822188 (E_RNA)
where:
Base-Base interactions energy: -259.280
where: short stacking energy: -106.541
Base-Backbone interact. energy: -0.933
local terms energy: -135.609039
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -27.519
flat angles C4'-P-C4' energy: -30.057
flat angles P-C4'-P energy: -17.929
tors. eta vs tors. theta energy: -35.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -348.811441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.811441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.811441 (E_RNA)
where:
Base-Base interactions energy: -226.946
where: short stacking energy: -130.224
Base-Backbone interact. energy: -0.622
local terms energy: -121.242958
where:
bonds (distance) C4'-P energy: -28.456
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -26.587
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -35.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -339.192231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.192231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.192231 (E_RNA)
where:
Base-Base interactions energy: -212.411
where: short stacking energy: -113.034
Base-Backbone interact. energy: -0.092
local terms energy: -126.689237
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -23.798
flat angles C4'-P-C4' energy: -30.749
flat angles P-C4'-P energy: -18.713
tors. eta vs tors. theta energy: -35.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -304.413827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.413827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.413827 (E_RNA)
where:
Base-Base interactions energy: -194.140
where: short stacking energy: -93.476
Base-Backbone interact. energy: -0.224
local terms energy: -110.049497
where:
bonds (distance) C4'-P energy: -26.266
bonds (distance) P-C4' energy: -26.005
flat angles C4'-P-C4' energy: -25.921
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -281.797585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.797585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.797585 (E_RNA)
where:
Base-Base interactions energy: -172.333
where: short stacking energy: -90.975
Base-Backbone interact. energy: -0.157
local terms energy: -109.307402
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -26.534
flat angles P-C4'-P energy: -17.976
tors. eta vs tors. theta energy: -25.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -228.740715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.740715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.740715 (E_RNA)
where:
Base-Base interactions energy: -140.460
where: short stacking energy: -63.344
Base-Backbone interact. energy: -0.028
local terms energy: -88.252343
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -25.852
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -19.167
tors. eta vs tors. theta energy: -0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -165.654526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.654526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.654526 (E_RNA)
where:
Base-Base interactions energy: -74.167
where: short stacking energy: -56.606
Base-Backbone interact. energy: -0.549
local terms energy: -90.938449
where:
bonds (distance) C4'-P energy: -25.023
bonds (distance) P-C4' energy: -25.310
flat angles C4'-P-C4' energy: -22.701
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -8.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -130.619917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.619917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.619917 (E_RNA)
where:
Base-Base interactions energy: -51.514
where: short stacking energy: -49.551
Base-Backbone interact. energy: -0.353
local terms energy: -78.752814
where:
bonds (distance) C4'-P energy: -24.993
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -6.279
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: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -141.609662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.609662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.609662 (E_RNA)
where:
Base-Base interactions energy: -61.755
where: short stacking energy: -43.050
Base-Backbone interact. energy: -0.330
local terms energy: -79.524145
where:
bonds (distance) C4'-P energy: -18.092
bonds (distance) P-C4' energy: -25.473
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -3.248
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -426.389830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.389830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.389830 (E_RNA)
where:
Base-Base interactions energy: -285.230
where: short stacking energy: -142.951
Base-Backbone interact. energy: -0.397
local terms energy: -140.762711
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -27.593
flat angles C4'-P-C4' energy: -30.313
flat angles P-C4'-P energy: -19.245
tors. eta vs tors. theta energy: -41.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -385.636606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.636606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.636606 (E_RNA)
where:
Base-Base interactions energy: -251.115
where: short stacking energy: -125.771
Base-Backbone interact. energy: -0.810
local terms energy: -133.712309
where:
bonds (distance) C4'-P energy: -26.232
bonds (distance) P-C4' energy: -25.637
flat angles C4'-P-C4' energy: -27.146
flat angles P-C4'-P energy: -20.273
tors. eta vs tors. theta energy: -34.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -359.809580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.809580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.809580 (E_RNA)
where:
Base-Base interactions energy: -227.093
where: short stacking energy: -124.046
Base-Backbone interact. energy: -0.386
local terms energy: -132.331232
where:
bonds (distance) C4'-P energy: -22.979
bonds (distance) P-C4' energy: -25.746
flat angles C4'-P-C4' energy: -27.734
flat angles P-C4'-P energy: -19.265
tors. eta vs tors. theta energy: -36.607
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: 4, replica: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -343.479556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.479556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.479556 (E_RNA)
where:
Base-Base interactions energy: -223.257
where: short stacking energy: -123.014
Base-Backbone interact. energy: -0.810
local terms energy: -119.412083
where:
bonds (distance) C4'-P energy: -24.229
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -25.936
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -31.765
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: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -291.341716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.341716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.341716 (E_RNA)
where:
Base-Base interactions energy: -180.313
where: short stacking energy: -93.069
Base-Backbone interact. energy: 0.325
local terms energy: -111.353779
where:
bonds (distance) C4'-P energy: -27.887
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -24.809
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -20.424
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: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -278.106303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.106303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.106303 (E_RNA)
where:
Base-Base interactions energy: -169.847
where: short stacking energy: -93.925
Base-Backbone interact. energy: -0.918
local terms energy: -107.340859
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -26.705
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -21.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -276.664816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.664816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.664816 (E_RNA)
where:
Base-Base interactions energy: -155.623
where: short stacking energy: -90.132
Base-Backbone interact. energy: -0.521
local terms energy: -120.521188
where:
bonds (distance) C4'-P energy: -24.045
bonds (distance) P-C4' energy: -26.360
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -20.031
tors. eta vs tors. theta energy: -21.716
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: 8, replica: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -150.750116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.750116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.750116 (E_RNA)
where:
Base-Base interactions energy: -67.632
where: short stacking energy: -41.187
Base-Backbone interact. energy: -0.335
local terms energy: -82.783028
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -17.045
tors. eta vs tors. theta energy: -1.947
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: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -135.392901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.392901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.392901 (E_RNA)
where:
Base-Base interactions energy: -48.171
where: short stacking energy: -40.315
Base-Backbone interact. energy: -0.633
local terms energy: -86.588772
where:
bonds (distance) C4'-P energy: -24.500
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -26.507
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -5.354
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: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -121.828667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.828667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.828667 (E_RNA)
where:
Base-Base interactions energy: -42.267
where: short stacking energy: -38.313
Base-Backbone interact. energy: -0.066
local terms energy: -79.495505
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -22.591
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -19.208
tors. eta vs tors. theta energy: -3.692
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -432.292046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.292046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.292046 (E_RNA)
where:
Base-Base interactions energy: -287.889
where: short stacking energy: -151.270
Base-Backbone interact. energy: -1.338
local terms energy: -143.064842
where:
bonds (distance) C4'-P energy: -24.132
bonds (distance) P-C4' energy: -26.282
flat angles C4'-P-C4' energy: -30.214
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -41.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -377.671543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.671543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.671543 (E_RNA)
where:
Base-Base interactions energy: -244.219
where: short stacking energy: -125.257
Base-Backbone interact. energy: -0.418
local terms energy: -133.034971
where:
bonds (distance) C4'-P energy: -21.392
bonds (distance) P-C4' energy: -28.344
flat angles C4'-P-C4' energy: -29.024
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -34.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -371.701550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.701550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.701550 (E_RNA)
where:
Base-Base interactions energy: -235.920
where: short stacking energy: -138.221
Base-Backbone interact. energy: -0.093
local terms energy: -135.688560
where:
bonds (distance) C4'-P energy: -24.064
bonds (distance) P-C4' energy: -27.397
flat angles C4'-P-C4' energy: -28.298
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -36.279
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: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -347.465461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.465461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.465461 (E_RNA)
where:
Base-Base interactions energy: -211.079
where: short stacking energy: -111.992
Base-Backbone interact. energy: -0.987
local terms energy: -135.400007
where:
bonds (distance) C4'-P energy: -27.490
bonds (distance) P-C4' energy: -27.635
flat angles C4'-P-C4' energy: -24.746
flat angles P-C4'-P energy: -20.184
tors. eta vs tors. theta energy: -35.345
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: 351
Temperature: 1.100000
Total energy: -294.139186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.139186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.139186 (E_RNA)
where:
Base-Base interactions energy: -171.614
where: short stacking energy: -99.551
Base-Backbone interact. energy: -0.112
local terms energy: -122.413095
where:
bonds (distance) C4'-P energy: -29.333
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -27.799
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -24.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -298.246666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.246666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.246666 (E_RNA)
where:
Base-Base interactions energy: -178.951
where: short stacking energy: -101.600
Base-Backbone interact. energy: -0.676
local terms energy: -118.619809
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -25.490
flat angles C4'-P-C4' energy: -27.046
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -32.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -285.060604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.060604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.060604 (E_RNA)
where:
Base-Base interactions energy: -165.804
where: short stacking energy: -103.306
Base-Backbone interact. energy: -0.198
local terms energy: -119.058398
where:
bonds (distance) C4'-P energy: -23.738
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -27.238
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: -21.839
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: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -148.069548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.069548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.069548 (E_RNA)
where:
Base-Base interactions energy: -55.875
where: short stacking energy: -55.574
Base-Backbone interact. energy: 1.487
local terms energy: -93.682172
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -26.159
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -6.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -139.445240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.445240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.445240 (E_RNA)
where:
Base-Base interactions energy: -68.173
where: short stacking energy: -48.314
Base-Backbone interact. energy: -0.301
local terms energy: -70.970783
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -4.518
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: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -124.686395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.686395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.686395 (E_RNA)
where:
Base-Base interactions energy: -46.849
where: short stacking energy: -31.901
Base-Backbone interact. energy: 0.154
local terms energy: -77.991466
where:
bonds (distance) C4'-P energy: -27.084
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -14.445
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -422.685891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.685891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.685891 (E_RNA)
where:
Base-Base interactions energy: -275.662
where: short stacking energy: -139.622
Base-Backbone interact. energy: -0.329
local terms energy: -146.694726
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -27.828
flat angles C4'-P-C4' energy: -32.739
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -41.528
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: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -382.750601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.750601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.750601 (E_RNA)
where:
Base-Base interactions energy: -246.605
where: short stacking energy: -123.892
Base-Backbone interact. energy: -1.006
local terms energy: -135.139611
where:
bonds (distance) C4'-P energy: -24.438
bonds (distance) P-C4' energy: -27.809
flat angles C4'-P-C4' energy: -29.279
flat angles P-C4'-P energy: -20.576
tors. eta vs tors. theta energy: -33.037
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: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -381.228386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.228386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.228386 (E_RNA)
where:
Base-Base interactions energy: -252.131
where: short stacking energy: -131.419
Base-Backbone interact. energy: -0.642
local terms energy: -128.455568
where:
bonds (distance) C4'-P energy: -21.252
bonds (distance) P-C4' energy: -29.008
flat angles C4'-P-C4' energy: -21.219
flat angles P-C4'-P energy: -19.732
tors. eta vs tors. theta energy: -37.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -346.184260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.184260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.184260 (E_RNA)
where:
Base-Base interactions energy: -221.505
where: short stacking energy: -120.400
Base-Backbone interact. energy: -0.002
local terms energy: -124.677342
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -24.213
flat angles C4'-P-C4' energy: -26.305
flat angles P-C4'-P energy: -20.194
tors. eta vs tors. theta energy: -35.031
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: 5, replica: 3
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -304.472296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.472296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.472296 (E_RNA)
where:
Base-Base interactions energy: -187.494
where: short stacking energy: -118.028
Base-Backbone interact. energy: -2.017
local terms energy: -114.960848
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -32.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -290.439846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.439846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.439846 (E_RNA)
where:
Base-Base interactions energy: -173.564
where: short stacking energy: -97.775
Base-Backbone interact. energy: -0.539
local terms energy: -116.337416
where:
bonds (distance) C4'-P energy: -22.104
bonds (distance) P-C4' energy: -28.355
flat angles C4'-P-C4' energy: -26.963
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -23.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -262.943244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.943244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.943244 (E_RNA)
where:
Base-Base interactions energy: -155.009
where: short stacking energy: -87.880
Base-Backbone interact. energy: -0.614
local terms energy: -107.319902
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -22.407
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -24.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -142.919280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.919280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.919280 (E_RNA)
where:
Base-Base interactions energy: -60.102
where: short stacking energy: -60.102
Base-Backbone interact. energy: -1.340
local terms energy: -81.477482
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -23.563
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -128.022127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.022127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.022127 (E_RNA)
where:
Base-Base interactions energy: -51.854
where: short stacking energy: -38.149
Base-Backbone interact. energy: -1.176
local terms energy: -74.992367
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -22.956
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -14.766
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: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -136.353572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.353572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.353572 (E_RNA)
where:
Base-Base interactions energy: -61.226
where: short stacking energy: -49.664
Base-Backbone interact. energy: -1.197
local terms energy: -73.930572
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -23.997
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -14.865
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -423.505615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.505615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.505615 (E_RNA)
where:
Base-Base interactions energy: -281.114
where: short stacking energy: -147.169
Base-Backbone interact. energy: -0.006
local terms energy: -142.385005
where:
bonds (distance) C4'-P energy: -24.691
bonds (distance) P-C4' energy: -26.530
flat angles C4'-P-C4' energy: -28.698
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -44.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -398.551694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.551694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.551694 (E_RNA)
where:
Base-Base interactions energy: -258.430
where: short stacking energy: -130.390
Base-Backbone interact. energy: -0.604
local terms energy: -139.518147
where:
bonds (distance) C4'-P energy: -27.548
bonds (distance) P-C4' energy: -29.403
flat angles C4'-P-C4' energy: -27.114
flat angles P-C4'-P energy: -19.608
tors. eta vs tors. theta energy: -35.846
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: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -364.135349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.135349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.135349 (E_RNA)
where:
Base-Base interactions energy: -240.617
where: short stacking energy: -112.583
Base-Backbone interact. energy: -0.139
local terms energy: -123.379438
where:
bonds (distance) C4'-P energy: -25.487
bonds (distance) P-C4' energy: -26.852
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -19.041
tors. eta vs tors. theta energy: -31.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -339.971031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.971031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.971031 (E_RNA)
where:
Base-Base interactions energy: -203.508
where: short stacking energy: -103.189
Base-Backbone interact. energy: -1.616
local terms energy: -134.847451
where:
bonds (distance) C4'-P energy: -26.170
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -31.496
flat angles P-C4'-P energy: -19.707
tors. eta vs tors. theta energy: -29.482
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: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -267.243289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.243289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.243289 (E_RNA)
where:
Base-Base interactions energy: -167.967
where: short stacking energy: -98.761
Base-Backbone interact. energy: 1.402
local terms energy: -100.678807
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -23.339
flat angles P-C4'-P energy: -17.781
tors. eta vs tors. theta energy: -14.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -262.779212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.779212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.779212 (E_RNA)
where:
Base-Base interactions energy: -157.916
where: short stacking energy: -96.418
Base-Backbone interact. energy: -1.103
local terms energy: -103.760303
where:
bonds (distance) C4'-P energy: -26.829
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -16.260
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -232.689099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.689099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.689099 (E_RNA)
where:
Base-Base interactions energy: -132.434
where: short stacking energy: -72.226
Base-Backbone interact. energy: -0.709
local terms energy: -99.546579
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -136.524351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.524351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.524351 (E_RNA)
where:
Base-Base interactions energy: -51.985
where: short stacking energy: -49.076
Base-Backbone interact. energy: -2.341
local terms energy: -82.197718
where:
bonds (distance) C4'-P energy: -24.626
bonds (distance) P-C4' energy: -23.418
flat angles C4'-P-C4' energy: -22.130
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -2.528
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: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -135.206735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.206735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.206735 (E_RNA)
where:
Base-Base interactions energy: -56.613
where: short stacking energy: -45.115
Base-Backbone interact. energy: -1.179
local terms energy: -77.414993
where:
bonds (distance) C4'-P energy: -25.217
bonds (distance) P-C4' energy: -25.040
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -8.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -137.072036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.072036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.072036 (E_RNA)
where:
Base-Base interactions energy: -47.097
where: short stacking energy: -44.016
Base-Backbone interact. energy: -0.347
local terms energy: -89.628375
where:
bonds (distance) C4'-P energy: -26.841
bonds (distance) P-C4' energy: -27.444
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -14.393
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -418.480547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.480547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.480547 (E_RNA)
where:
Base-Base interactions energy: -278.656
where: short stacking energy: -144.505
Base-Backbone interact. energy: -0.326
local terms energy: -139.498573
where:
bonds (distance) C4'-P energy: -24.458
bonds (distance) P-C4' energy: -25.707
flat angles C4'-P-C4' energy: -31.938
flat angles P-C4'-P energy: -17.125
tors. eta vs tors. theta energy: -40.270
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: 9
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -402.590494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.590494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.590494 (E_RNA)
where:
Base-Base interactions energy: -257.548
where: short stacking energy: -114.862
Base-Backbone interact. energy: -1.568
local terms energy: -143.474633
where:
bonds (distance) C4'-P energy: -28.081
bonds (distance) P-C4' energy: -29.677
flat angles C4'-P-C4' energy: -27.552
flat angles P-C4'-P energy: -20.209
tors. eta vs tors. theta energy: -37.956
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: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -405.280459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.280459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.280459 (E_RNA)
where:
Base-Base interactions energy: -272.804
where: short stacking energy: -124.852
Base-Backbone interact. energy: -0.658
local terms energy: -131.818232
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -27.053
flat angles C4'-P-C4' energy: -25.411
flat angles P-C4'-P energy: -20.009
tors. eta vs tors. theta energy: -35.607
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: 4, replica: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -353.633467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.633467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.633467 (E_RNA)
where:
Base-Base interactions energy: -223.578
where: short stacking energy: -123.195
Base-Backbone interact. energy: -0.070
local terms energy: -129.984979
where:
bonds (distance) C4'-P energy: -28.376
bonds (distance) P-C4' energy: -22.609
flat angles C4'-P-C4' energy: -24.755
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -39.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -282.778250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.778250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.778250 (E_RNA)
where:
Base-Base interactions energy: -179.550
where: short stacking energy: -96.999
Base-Backbone interact. energy: -0.482
local terms energy: -102.746588
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -24.002
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: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -298.628706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.628706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.628706 (E_RNA)
where:
Base-Base interactions energy: -182.598
where: short stacking energy: -94.317
Base-Backbone interact. energy: -0.523
local terms energy: -115.507826
where:
bonds (distance) C4'-P energy: -22.792
bonds (distance) P-C4' energy: -23.571
flat angles C4'-P-C4' energy: -22.526
flat angles P-C4'-P energy: -22.368
tors. eta vs tors. theta energy: -24.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -239.036729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.036729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.036729 (E_RNA)
where:
Base-Base interactions energy: -143.072
where: short stacking energy: -75.502
Base-Backbone interact. energy: 1.331
local terms energy: -97.295797
where:
bonds (distance) C4'-P energy: -26.095
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -23.091
flat angles P-C4'-P energy: -11.859
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: 8, replica: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -141.937035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.937035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.937035 (E_RNA)
where:
Base-Base interactions energy: -65.102
where: short stacking energy: -61.736
Base-Backbone interact. energy: 2.954
local terms energy: -79.788895
where:
bonds (distance) C4'-P energy: -24.439
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -21.126
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -2.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -133.137655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.137655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.137655 (E_RNA)
where:
Base-Base interactions energy: -49.373
where: short stacking energy: -43.111
Base-Backbone interact. energy: 1.313
local terms energy: -85.078163
where:
bonds (distance) C4'-P energy: -27.338
bonds (distance) P-C4' energy: -23.095
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -20.174
tors. eta vs tors. theta energy: 6.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -125.961539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.961539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.961539 (E_RNA)
where:
Base-Base interactions energy: -48.081
where: short stacking energy: -46.510
Base-Backbone interact. energy: -0.254
local terms energy: -77.626311
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -14.274
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -430.603469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.603469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.603469 (E_RNA)
where:
Base-Base interactions energy: -279.990
where: short stacking energy: -140.487
Base-Backbone interact. energy: -0.043
local terms energy: -150.570140
where:
bonds (distance) C4'-P energy: -29.030
bonds (distance) P-C4' energy: -28.774
flat angles C4'-P-C4' energy: -31.883
flat angles P-C4'-P energy: -20.579
tors. eta vs tors. theta energy: -40.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -405.914895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.914895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.914895 (E_RNA)
where:
Base-Base interactions energy: -275.789
where: short stacking energy: -132.327
Base-Backbone interact. energy: -0.634
local terms energy: -129.491321
where:
bonds (distance) C4'-P energy: -23.272
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -31.842
flat angles P-C4'-P energy: -19.639
tors. eta vs tors. theta energy: -30.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -391.844405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.844405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.844405 (E_RNA)
where:
Base-Base interactions energy: -251.296
where: short stacking energy: -138.168
Base-Backbone interact. energy: -0.673
local terms energy: -139.874787
where:
bonds (distance) C4'-P energy: -22.126
bonds (distance) P-C4' energy: -28.110
flat angles C4'-P-C4' energy: -30.075
flat angles P-C4'-P energy: -20.007
tors. eta vs tors. theta energy: -39.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -350.629539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.629539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.629539 (E_RNA)
where:
Base-Base interactions energy: -218.424
where: short stacking energy: -119.069
Base-Backbone interact. energy: 0.791
local terms energy: -132.995847
where:
bonds (distance) C4'-P energy: -19.799
bonds (distance) P-C4' energy: -27.415
flat angles C4'-P-C4' energy: -28.405
flat angles P-C4'-P energy: -20.488
tors. eta vs tors. theta energy: -36.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -276.402969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.402969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.402969 (E_RNA)
where:
Base-Base interactions energy: -161.886
where: short stacking energy: -95.868
Base-Backbone interact. energy: -0.698
local terms energy: -113.818994
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -24.812
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -24.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -302.130829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.130829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.130829 (E_RNA)
where:
Base-Base interactions energy: -189.130
where: short stacking energy: -119.393
Base-Backbone interact. energy: -0.037
local terms energy: -112.963415
where:
bonds (distance) C4'-P energy: -24.576
bonds (distance) P-C4' energy: -24.867
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -31.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -224.333572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.333572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.333572 (E_RNA)
where:
Base-Base interactions energy: -132.253
where: short stacking energy: -68.108
Base-Backbone interact. energy: -0.919
local terms energy: -91.161765
where:
bonds (distance) C4'-P energy: -24.077
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -24.477
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -13.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -156.288553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.288553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.288553 (E_RNA)
where:
Base-Base interactions energy: -70.028
where: short stacking energy: -62.607
Base-Backbone interact. energy: -0.086
local terms energy: -86.174119
where:
bonds (distance) C4'-P energy: -22.608
bonds (distance) P-C4' energy: -29.897
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -130.403580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.403580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.403580 (E_RNA)
where:
Base-Base interactions energy: -53.981
where: short stacking energy: -53.981
Base-Backbone interact. energy: -0.381
local terms energy: -76.041390
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -21.678
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -7.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -132.015616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.015616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.015616 (E_RNA)
where:
Base-Base interactions energy: -48.228
where: short stacking energy: -43.070
Base-Backbone interact. energy: 0.754
local terms energy: -84.540804
where:
bonds (distance) C4'-P energy: -25.718
bonds (distance) P-C4' energy: -26.660
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -431.719902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.719902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.719902 (E_RNA)
where:
Base-Base interactions energy: -279.949
where: short stacking energy: -143.237
Base-Backbone interact. energy: -0.014
local terms energy: -151.757327
where:
bonds (distance) C4'-P energy: -27.016
bonds (distance) P-C4' energy: -29.900
flat angles C4'-P-C4' energy: -30.215
flat angles P-C4'-P energy: -21.928
tors. eta vs tors. theta energy: -42.698
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: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -398.565303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.565303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.565303 (E_RNA)
where:
Base-Base interactions energy: -258.390
where: short stacking energy: -122.370
Base-Backbone interact. energy: -3.260
local terms energy: -136.914678
where:
bonds (distance) C4'-P energy: -26.671
bonds (distance) P-C4' energy: -28.219
flat angles C4'-P-C4' energy: -27.192
flat angles P-C4'-P energy: -19.679
tors. eta vs tors. theta energy: -35.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -377.350433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.350433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.350433 (E_RNA)
where:
Base-Base interactions energy: -254.298
where: short stacking energy: -125.401
Base-Backbone interact. energy: -0.223
local terms energy: -122.828958
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -24.319
flat angles C4'-P-C4' energy: -29.141
flat angles P-C4'-P energy: -18.310
tors. eta vs tors. theta energy: -32.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -333.364333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.364333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.364333 (E_RNA)
where:
Base-Base interactions energy: -217.007
where: short stacking energy: -116.541
Base-Backbone interact. energy: -0.030
local terms energy: -116.326558
where:
bonds (distance) C4'-P energy: -25.603
bonds (distance) P-C4' energy: -27.202
flat angles C4'-P-C4' energy: -23.805
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -30.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -283.584312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.584312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.584312 (E_RNA)
where:
Base-Base interactions energy: -168.098
where: short stacking energy: -99.959
Base-Backbone interact. energy: -1.247
local terms energy: -114.239223
where:
bonds (distance) C4'-P energy: -24.070
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -28.496
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -25.520
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: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -255.024054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.024054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.024054 (E_RNA)
where:
Base-Base interactions energy: -149.327
where: short stacking energy: -83.916
Base-Backbone interact. energy: -0.260
local terms energy: -105.436224
where:
bonds (distance) C4'-P energy: -25.564
bonds (distance) P-C4' energy: -27.768
flat angles C4'-P-C4' energy: -24.869
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -242.753909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.753909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.753909 (E_RNA)
where:
Base-Base interactions energy: -144.669
where: short stacking energy: -85.005
Base-Backbone interact. energy: 3.017
local terms energy: -101.101539
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -27.823
flat angles P-C4'-P energy: -18.829
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -138.392879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.392879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.392879 (E_RNA)
where:
Base-Base interactions energy: -53.383
where: short stacking energy: -49.284
Base-Backbone interact. energy: 0.047
local terms energy: -85.055904
where:
bonds (distance) C4'-P energy: -23.826
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -145.379776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.379776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.379776 (E_RNA)
where:
Base-Base interactions energy: -61.180
where: short stacking energy: -57.175
Base-Backbone interact. energy: -0.765
local terms energy: -83.434490
where:
bonds (distance) C4'-P energy: -28.221
bonds (distance) P-C4' energy: -29.908
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -8.778
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: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -123.458507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.458507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.458507 (E_RNA)
where:
Base-Base interactions energy: -53.446
where: short stacking energy: -40.765
Base-Backbone interact. energy: 0.003
local terms energy: -70.015548
where:
bonds (distance) C4'-P energy: -22.632
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: 6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -428.472789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.472789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.472789 (E_RNA)
where:
Base-Base interactions energy: -290.898
where: short stacking energy: -147.782
Base-Backbone interact. energy: -0.177
local terms energy: -137.397814
where:
bonds (distance) C4'-P energy: -24.873
bonds (distance) P-C4' energy: -27.128
flat angles C4'-P-C4' energy: -27.245
flat angles P-C4'-P energy: -17.025
tors. eta vs tors. theta energy: -41.126
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: 9
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -409.543121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.543121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.543121 (E_RNA)
where:
Base-Base interactions energy: -268.430
where: short stacking energy: -139.271
Base-Backbone interact. energy: -1.022
local terms energy: -140.090917
where:
bonds (distance) C4'-P energy: -25.992
bonds (distance) P-C4' energy: -24.440
flat angles C4'-P-C4' energy: -28.597
flat angles P-C4'-P energy: -21.824
tors. eta vs tors. theta energy: -39.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -397.380918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.380918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.380918 (E_RNA)
where:
Base-Base interactions energy: -259.510
where: short stacking energy: -123.942
Base-Backbone interact. energy: -0.194
local terms energy: -137.676005
where:
bonds (distance) C4'-P energy: -27.564
bonds (distance) P-C4' energy: -26.882
flat angles C4'-P-C4' energy: -30.153
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -32.065
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: 357
Temperature: 1.050000
Total energy: -342.128542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.128542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.128542 (E_RNA)
where:
Base-Base interactions energy: -215.541
where: short stacking energy: -118.027
Base-Backbone interact. energy: -0.455
local terms energy: -126.133065
where:
bonds (distance) C4'-P energy: -23.242
bonds (distance) P-C4' energy: -25.300
flat angles C4'-P-C4' energy: -27.742
flat angles P-C4'-P energy: -15.735
tors. eta vs tors. theta energy: -34.114
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: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -287.668586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.668586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.668586 (E_RNA)
where:
Base-Base interactions energy: -175.480
where: short stacking energy: -105.347
Base-Backbone interact. energy: -1.341
local terms energy: -110.847727
where:
bonds (distance) C4'-P energy: -24.765
bonds (distance) P-C4' energy: -20.643
flat angles C4'-P-C4' energy: -26.322
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -29.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -245.597841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.597841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.597841 (E_RNA)
where:
Base-Base interactions energy: -144.733
where: short stacking energy: -77.732
Base-Backbone interact. energy: -0.022
local terms energy: -100.842409
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -27.217
flat angles C4'-P-C4' energy: -22.574
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -18.844
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: 7, replica: 8
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -269.246755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.246755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.246755 (E_RNA)
where:
Base-Base interactions energy: -160.887
where: short stacking energy: -87.225
Base-Backbone interact. energy: -0.244
local terms energy: -108.116422
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -26.797
flat angles C4'-P-C4' energy: -26.653
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -148.433335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.433335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.433335 (E_RNA)
where:
Base-Base interactions energy: -68.202
where: short stacking energy: -59.064
Base-Backbone interact. energy: 1.001
local terms energy: -81.231913
where:
bonds (distance) C4'-P energy: -23.863
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -3.402
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: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -150.262921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.262921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.262921 (E_RNA)
where:
Base-Base interactions energy: -57.268
where: short stacking energy: -50.196
Base-Backbone interact. energy: -1.148
local terms energy: -91.847402
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -29.292
flat angles C4'-P-C4' energy: -22.941
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -129.932080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.932080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.932080 (E_RNA)
where:
Base-Base interactions energy: -52.430
where: short stacking energy: -45.246
Base-Backbone interact. energy: -0.095
local terms energy: -77.407319
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -23.323
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -417.118009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.118009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.118009 (E_RNA)
where:
Base-Base interactions energy: -269.793
where: short stacking energy: -133.856
Base-Backbone interact. energy: -0.001
local terms energy: -147.324339
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -33.496
flat angles P-C4'-P energy: -25.205
tors. eta vs tors. theta energy: -41.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -393.837507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.837507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.837507 (E_RNA)
where:
Base-Base interactions energy: -263.103
where: short stacking energy: -126.772
Base-Backbone interact. energy: 0.959
local terms energy: -131.693332
where:
bonds (distance) C4'-P energy: -25.701
bonds (distance) P-C4' energy: -24.108
flat angles C4'-P-C4' energy: -28.159
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -37.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -387.441866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.441866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.441866 (E_RNA)
where:
Base-Base interactions energy: -258.861
where: short stacking energy: -117.658
Base-Backbone interact. energy: -0.180
local terms energy: -128.400585
where:
bonds (distance) C4'-P energy: -19.927
bonds (distance) P-C4' energy: -27.784
flat angles C4'-P-C4' energy: -29.561
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: -31.458
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: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -321.179266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.179266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.179266 (E_RNA)
where:
Base-Base interactions energy: -205.456
where: short stacking energy: -113.249
Base-Backbone interact. energy: 1.283
local terms energy: -117.006026
where:
bonds (distance) C4'-P energy: -22.287
bonds (distance) P-C4' energy: -24.738
flat angles C4'-P-C4' energy: -24.627
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -29.351
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: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -294.219429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.219429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.219429 (E_RNA)
where:
Base-Base interactions energy: -181.122
where: short stacking energy: -95.048
Base-Backbone interact. energy: -1.187
local terms energy: -111.910616
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -24.133
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -23.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -264.656924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.656924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.656924 (E_RNA)
where:
Base-Base interactions energy: -148.940
where: short stacking energy: -102.551
Base-Backbone interact. energy: -0.828
local terms energy: -114.888277
where:
bonds (distance) C4'-P energy: -24.877
bonds (distance) P-C4' energy: -24.092
flat angles C4'-P-C4' energy: -22.072
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -29.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -244.073352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.073352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.073352 (E_RNA)
where:
Base-Base interactions energy: -149.156
where: short stacking energy: -77.527
Base-Backbone interact. energy: -0.155
local terms energy: -94.762232
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -19.539
tors. eta vs tors. theta energy: -19.381
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: 358
Temperature: 1.250000
Total energy: -145.416723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.416723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.416723 (E_RNA)
where:
Base-Base interactions energy: -58.030
where: short stacking energy: -50.042
Base-Backbone interact. energy: -0.648
local terms energy: -86.739177
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -25.017
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -120.343546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.343546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.343546 (E_RNA)
where:
Base-Base interactions energy: -48.148
where: short stacking energy: -48.148
Base-Backbone interact. energy: -0.494
local terms energy: -71.700979
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -25.855
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -113.242159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.242159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.242159 (E_RNA)
where:
Base-Base interactions energy: -39.854
where: short stacking energy: -40.261
Base-Backbone interact. energy: 0.896
local terms energy: -74.284666
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -1.591
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -422.047524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.047524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.047524 (E_RNA)
where:
Base-Base interactions energy: -280.712
where: short stacking energy: -132.399
Base-Backbone interact. energy: -0.935
local terms energy: -140.400886
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -29.367
flat angles P-C4'-P energy: -17.598
tors. eta vs tors. theta energy: -43.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -390.428218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.428218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.428218 (E_RNA)
where:
Base-Base interactions energy: -261.457
where: short stacking energy: -122.456
Base-Backbone interact. energy: -0.576
local terms energy: -128.395477
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -25.923
flat angles C4'-P-C4' energy: -30.403
flat angles P-C4'-P energy: -21.695
tors. eta vs tors. theta energy: -35.673
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: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -388.281487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.281487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.281487 (E_RNA)
where:
Base-Base interactions energy: -260.562
where: short stacking energy: -124.427
Base-Backbone interact. energy: -0.241
local terms energy: -127.479130
where:
bonds (distance) C4'-P energy: -23.062
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -25.907
flat angles P-C4'-P energy: -22.795
tors. eta vs tors. theta energy: -33.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -313.358689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.358689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.358689 (E_RNA)
where:
Base-Base interactions energy: -192.510
where: short stacking energy: -109.187
Base-Backbone interact. energy: -0.450
local terms energy: -120.398333
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -27.483
flat angles C4'-P-C4' energy: -27.299
flat angles P-C4'-P energy: -17.006
tors. eta vs tors. theta energy: -29.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -330.004497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.004497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.004497 (E_RNA)
where:
Base-Base interactions energy: -213.444
where: short stacking energy: -112.888
Base-Backbone interact. energy: -0.135
local terms energy: -116.425517
where:
bonds (distance) C4'-P energy: -21.503
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -31.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -255.589906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.589906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.589906 (E_RNA)
where:
Base-Base interactions energy: -152.905
where: short stacking energy: -87.317
Base-Backbone interact. energy: -0.182
local terms energy: -102.502673
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -25.352
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -21.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -268.710383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.710383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.710383 (E_RNA)
where:
Base-Base interactions energy: -151.211
where: short stacking energy: -81.966
Base-Backbone interact. energy: -0.452
local terms energy: -117.047182
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -30.934
flat angles P-C4'-P energy: -24.245
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -151.620550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.620550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.620550 (E_RNA)
where:
Base-Base interactions energy: -51.166
where: short stacking energy: -39.225
Base-Backbone interact. energy: -0.327
local terms energy: -100.127319
where:
bonds (distance) C4'-P energy: -25.295
bonds (distance) P-C4' energy: -29.337
flat angles C4'-P-C4' energy: -26.746
flat angles P-C4'-P energy: -14.764
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: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -136.107352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.107352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.107352 (E_RNA)
where:
Base-Base interactions energy: -55.142
where: short stacking energy: -42.584
Base-Backbone interact. energy: -0.622
local terms energy: -80.343438
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -13.995
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: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -115.320687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.320687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.320687 (E_RNA)
where:
Base-Base interactions energy: -37.999
where: short stacking energy: -33.044
Base-Backbone interact. energy: -0.365
local terms energy: -76.956908
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -22.542
flat angles C4'-P-C4' energy: -22.014
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: 0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -412.070428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.070428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.070428 (E_RNA)
where:
Base-Base interactions energy: -277.486
where: short stacking energy: -122.408
Base-Backbone interact. energy: -1.769
local terms energy: -132.815510
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -26.347
flat angles C4'-P-C4' energy: -28.240
flat angles P-C4'-P energy: -18.948
tors. eta vs tors. theta energy: -35.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -425.450991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.450991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.450991 (E_RNA)
where:
Base-Base interactions energy: -285.254
where: short stacking energy: -138.515
Base-Backbone interact. energy: -0.235
local terms energy: -139.962152
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -28.739
flat angles C4'-P-C4' energy: -30.541
flat angles P-C4'-P energy: -21.823
tors. eta vs tors. theta energy: -40.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -387.766394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.766394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.766394 (E_RNA)
where:
Base-Base interactions energy: -253.089
where: short stacking energy: -121.402
Base-Backbone interact. energy: -0.883
local terms energy: -133.793984
where:
bonds (distance) C4'-P energy: -24.738
bonds (distance) P-C4' energy: -25.412
flat angles C4'-P-C4' energy: -29.392
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -35.630
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: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -294.855072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.855072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.855072 (E_RNA)
where:
Base-Base interactions energy: -186.691
where: short stacking energy: -90.808
Base-Backbone interact. energy: -1.629
local terms energy: -106.535502
where:
bonds (distance) C4'-P energy: -24.398
bonds (distance) P-C4' energy: -27.037
flat angles C4'-P-C4' energy: -22.563
flat angles P-C4'-P energy: -14.282
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -344.787380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.787380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.787380 (E_RNA)
where:
Base-Base interactions energy: -222.172
where: short stacking energy: -122.928
Base-Backbone interact. energy: -0.457
local terms energy: -122.157616
where:
bonds (distance) C4'-P energy: -24.074
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -32.985
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: 5
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -249.678401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.678401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.678401 (E_RNA)
where:
Base-Base interactions energy: -144.068
where: short stacking energy: -91.450
Base-Backbone interact. energy: 0.249
local terms energy: -105.859152
where:
bonds (distance) C4'-P energy: -21.501
bonds (distance) P-C4' energy: -27.314
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -253.588370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.588370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.588370 (E_RNA)
where:
Base-Base interactions energy: -147.309
where: short stacking energy: -79.893
Base-Backbone interact. energy: 0.003
local terms energy: -106.282866
where:
bonds (distance) C4'-P energy: -23.453
bonds (distance) P-C4' energy: -27.803
flat angles C4'-P-C4' energy: -23.719
flat angles P-C4'-P energy: -16.354
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: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -126.290031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.290031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.290031 (E_RNA)
where:
Base-Base interactions energy: -48.755
where: short stacking energy: -46.707
Base-Backbone interact. energy: -0.366
local terms energy: -77.168741
where:
bonds (distance) C4'-P energy: -21.576
bonds (distance) P-C4' energy: -24.177
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -148.452191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.452191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.452191 (E_RNA)
where:
Base-Base interactions energy: -63.798
where: short stacking energy: -58.993
Base-Backbone interact. energy: -1.794
local terms energy: -82.859757
where:
bonds (distance) C4'-P energy: -22.670
bonds (distance) P-C4' energy: -28.872
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -10.802
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: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -114.926778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.926778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.926778 (E_RNA)
where:
Base-Base interactions energy: -44.912
where: short stacking energy: -38.215
Base-Backbone interact. energy: -0.603
local terms energy: -69.411742
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -20.938
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -401.808730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.808730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.808730 (E_RNA)
where:
Base-Base interactions energy: -273.815
where: short stacking energy: -122.994
Base-Backbone interact. energy: -3.449
local terms energy: -124.544562
where:
bonds (distance) C4'-P energy: -18.432
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -27.829
flat angles P-C4'-P energy: -21.292
tors. eta vs tors. theta energy: -36.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -384.552819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.552819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.552819 (E_RNA)
where:
Base-Base interactions energy: -247.067
where: short stacking energy: -115.051
Base-Backbone interact. energy: -2.465
local terms energy: -135.021545
where:
bonds (distance) C4'-P energy: -26.534
bonds (distance) P-C4' energy: -26.314
flat angles C4'-P-C4' energy: -28.713
flat angles P-C4'-P energy: -18.374
tors. eta vs tors. theta energy: -35.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -408.280572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.280572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.280572 (E_RNA)
where:
Base-Base interactions energy: -274.473
where: short stacking energy: -138.078
Base-Backbone interact. energy: -0.148
local terms energy: -133.659573
where:
bonds (distance) C4'-P energy: -26.232
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -27.511
flat angles P-C4'-P energy: -18.517
tors. eta vs tors. theta energy: -41.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -352.793324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.793324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.793324 (E_RNA)
where:
Base-Base interactions energy: -220.678
where: short stacking energy: -126.138
Base-Backbone interact. energy: -0.349
local terms energy: -131.766174
where:
bonds (distance) C4'-P energy: -25.954
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -28.402
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -38.222
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: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -301.614513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.614513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.614513 (E_RNA)
where:
Base-Base interactions energy: -190.166
where: short stacking energy: -99.520
Base-Backbone interact. energy: 0.285
local terms energy: -111.734354
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -23.895
flat angles P-C4'-P energy: -21.364
tors. eta vs tors. theta energy: -26.950
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: 361
Temperature: 1.150000
Total energy: -242.679842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.679842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.679842 (E_RNA)
where:
Base-Base interactions energy: -133.533
where: short stacking energy: -82.393
Base-Backbone interact. energy: -0.287
local terms energy: -108.859702
where:
bonds (distance) C4'-P energy: -22.850
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -19.469
tors. eta vs tors. theta energy: -20.737
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: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -273.897231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.897231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.897231 (E_RNA)
where:
Base-Base interactions energy: -167.402
where: short stacking energy: -84.422
Base-Backbone interact. energy: -0.921
local terms energy: -105.574536
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -23.227
flat angles C4'-P-C4' energy: -27.885
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -144.139518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.139518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.139518 (E_RNA)
where:
Base-Base interactions energy: -55.407
where: short stacking energy: -54.803
Base-Backbone interact. energy: 0.804
local terms energy: -89.536518
where:
bonds (distance) C4'-P energy: -28.529
bonds (distance) P-C4' energy: -26.965
flat angles C4'-P-C4' energy: -22.263
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -2.275
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: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -128.476203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.476203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.476203 (E_RNA)
where:
Base-Base interactions energy: -45.036
where: short stacking energy: -42.622
Base-Backbone interact. energy: 0.539
local terms energy: -83.978647
where:
bonds (distance) C4'-P energy: -26.211
bonds (distance) P-C4' energy: -23.289
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -4.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -113.447633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.447633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.447633 (E_RNA)
where:
Base-Base interactions energy: -42.913
where: short stacking energy: -41.035
Base-Backbone interact. energy: 0.236
local terms energy: -70.770196
where:
bonds (distance) C4'-P energy: -20.320
bonds (distance) P-C4' energy: -20.592
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -15.624
tors. eta vs tors. theta energy: 1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -402.335495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.335495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.335495 (E_RNA)
where:
Base-Base interactions energy: -265.570
where: short stacking energy: -126.524
Base-Backbone interact. energy: -0.424
local terms energy: -136.341707
where:
bonds (distance) C4'-P energy: -22.535
bonds (distance) P-C4' energy: -29.178
flat angles C4'-P-C4' energy: -30.798
flat angles P-C4'-P energy: -21.307
tors. eta vs tors. theta energy: -32.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -380.836926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.836926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.836926 (E_RNA)
where:
Base-Base interactions energy: -249.493
where: short stacking energy: -120.864
Base-Backbone interact. energy: -2.049
local terms energy: -129.294063
where:
bonds (distance) C4'-P energy: -24.372
bonds (distance) P-C4' energy: -25.979
flat angles C4'-P-C4' energy: -27.656
flat angles P-C4'-P energy: -19.638
tors. eta vs tors. theta energy: -31.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -407.422454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.422454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.422454 (E_RNA)
where:
Base-Base interactions energy: -275.127
where: short stacking energy: -140.637
Base-Backbone interact. energy: -0.008
local terms energy: -132.287074
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -25.726
flat angles C4'-P-C4' energy: -27.661
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -42.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -337.947812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.947812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.947812 (E_RNA)
where:
Base-Base interactions energy: -206.806
where: short stacking energy: -111.464
Base-Backbone interact. energy: -2.475
local terms energy: -128.666897
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -28.934
flat angles C4'-P-C4' energy: -26.240
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -26.792
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: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -263.731906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.731906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.731906 (E_RNA)
where:
Base-Base interactions energy: -145.365
where: short stacking energy: -81.963
Base-Backbone interact. energy: -0.023
local terms energy: -118.344626
where:
bonds (distance) C4'-P energy: -21.734
bonds (distance) P-C4' energy: -29.890
flat angles C4'-P-C4' energy: -23.117
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -272.355092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.355092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.355092 (E_RNA)
where:
Base-Base interactions energy: -160.884
where: short stacking energy: -99.700
Base-Backbone interact. energy: -1.956
local terms energy: -109.515581
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -24.703
flat angles P-C4'-P energy: -21.058
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -279.878211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.878211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.878211 (E_RNA)
where:
Base-Base interactions energy: -175.996
where: short stacking energy: -93.273
Base-Backbone interact. energy: -0.024
local terms energy: -103.857615
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -26.356
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -153.373886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.373886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.373886 (E_RNA)
where:
Base-Base interactions energy: -65.169
where: short stacking energy: -52.351
Base-Backbone interact. energy: -0.942
local terms energy: -87.263410
where:
bonds (distance) C4'-P energy: -22.568
bonds (distance) P-C4' energy: -24.235
flat angles C4'-P-C4' energy: -24.553
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -5.359
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: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -131.939751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.939751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.939751 (E_RNA)
where:
Base-Base interactions energy: -56.405
where: short stacking energy: -54.837
Base-Backbone interact. energy: -0.560
local terms energy: -74.973926
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -18.167
tors. eta vs tors. theta energy: 0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -124.063529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.063529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.063529 (E_RNA)
where:
Base-Base interactions energy: -36.383
where: short stacking energy: -33.076
Base-Backbone interact. energy: 0.834
local terms energy: -88.513949
where:
bonds (distance) C4'-P energy: -25.677
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -21.428
flat angles P-C4'-P energy: -17.205
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -408.459202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.459202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.459202 (E_RNA)
where:
Base-Base interactions energy: -277.362
where: short stacking energy: -125.649
Base-Backbone interact. energy: 1.060
local terms energy: -132.157589
where:
bonds (distance) C4'-P energy: -22.096
bonds (distance) P-C4' energy: -25.506
flat angles C4'-P-C4' energy: -30.353
flat angles P-C4'-P energy: -22.267
tors. eta vs tors. theta energy: -31.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -424.135645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.135645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.135645 (E_RNA)
where:
Base-Base interactions energy: -276.070
where: short stacking energy: -126.343
Base-Backbone interact. energy: -0.783
local terms energy: -147.281892
where:
bonds (distance) C4'-P energy: -28.090
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -29.690
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -42.840
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: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -361.448273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.448273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.448273 (E_RNA)
where:
Base-Base interactions energy: -234.169
where: short stacking energy: -111.039
Base-Backbone interact. energy: -1.848
local terms energy: -125.430780
where:
bonds (distance) C4'-P energy: -22.101
bonds (distance) P-C4' energy: -26.588
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -30.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -354.463051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.463051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.463051 (E_RNA)
where:
Base-Base interactions energy: -227.086
where: short stacking energy: -123.057
Base-Backbone interact. energy: -1.113
local terms energy: -126.264473
where:
bonds (distance) C4'-P energy: -22.927
bonds (distance) P-C4' energy: -24.421
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -19.052
tors. eta vs tors. theta energy: -36.836
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: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -277.451440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.451440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.451440 (E_RNA)
where:
Base-Base interactions energy: -165.991
where: short stacking energy: -92.382
Base-Backbone interact. energy: -0.134
local terms energy: -111.326649
where:
bonds (distance) C4'-P energy: -24.340
bonds (distance) P-C4' energy: -24.950
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -14.238
tors. eta vs tors. theta energy: -26.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -270.714382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.714382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.714382 (E_RNA)
where:
Base-Base interactions energy: -166.354
where: short stacking energy: -78.056
Base-Backbone interact. energy: -0.325
local terms energy: -104.035087
where:
bonds (distance) C4'-P energy: -24.326
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -25.051
flat angles P-C4'-P energy: -15.959
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -257.900425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.900425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.900425 (E_RNA)
where:
Base-Base interactions energy: -158.609
where: short stacking energy: -90.461
Base-Backbone interact. energy: 2.195
local terms energy: -101.485941
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -27.665
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -19.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -159.142360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.142360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.142360 (E_RNA)
where:
Base-Base interactions energy: -57.007
where: short stacking energy: -56.364
Base-Backbone interact. energy: -0.138
local terms energy: -101.996980
where:
bonds (distance) C4'-P energy: -24.094
bonds (distance) P-C4' energy: -26.998
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -17.283
tors. eta vs tors. theta energy: -14.417
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: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -129.085929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.085929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.085929 (E_RNA)
where:
Base-Base interactions energy: -50.970
where: short stacking energy: -50.970
Base-Backbone interact. energy: -0.219
local terms energy: -77.896510
where:
bonds (distance) C4'-P energy: -20.138
bonds (distance) P-C4' energy: -23.161
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -6.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -140.209165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.209165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.209165 (E_RNA)
where:
Base-Base interactions energy: -51.681
where: short stacking energy: -47.819
Base-Backbone interact. energy: 0.717
local terms energy: -89.245062
where:
bonds (distance) C4'-P energy: -25.627
bonds (distance) P-C4' energy: -21.332
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -14.544
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -423.673421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.673421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.673421 (E_RNA)
where:
Base-Base interactions energy: -274.518
where: short stacking energy: -142.859
Base-Backbone interact. energy: -1.119
local terms energy: -148.036668
where:
bonds (distance) C4'-P energy: -25.937
bonds (distance) P-C4' energy: -26.158
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -23.805
tors. eta vs tors. theta energy: -41.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -405.514607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.514607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.514607 (E_RNA)
where:
Base-Base interactions energy: -268.794
where: short stacking energy: -134.110
Base-Backbone interact. energy: -0.458
local terms energy: -136.262401
where:
bonds (distance) C4'-P energy: -24.332
bonds (distance) P-C4' energy: -27.337
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -20.981
tors. eta vs tors. theta energy: -34.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -314.961058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.961058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.961058 (E_RNA)
where:
Base-Base interactions energy: -195.552
where: short stacking energy: -107.240
Base-Backbone interact. energy: -1.309
local terms energy: -118.100316
where:
bonds (distance) C4'-P energy: -26.496
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -24.540
flat angles P-C4'-P energy: -17.113
tors. eta vs tors. theta energy: -25.784
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: 4, replica: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -336.774570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.774570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.774570 (E_RNA)
where:
Base-Base interactions energy: -207.603
where: short stacking energy: -112.971
Base-Backbone interact. energy: -0.872
local terms energy: -128.299417
where:
bonds (distance) C4'-P energy: -26.245
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -28.123
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -36.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -261.260998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.260998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.260998 (E_RNA)
where:
Base-Base interactions energy: -163.798
where: short stacking energy: -80.506
Base-Backbone interact. energy: -1.096
local terms energy: -96.366734
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -26.981
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -278.729066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.729066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.729066 (E_RNA)
where:
Base-Base interactions energy: -176.823
where: short stacking energy: -88.308
Base-Backbone interact. energy: -1.482
local terms energy: -100.424708
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -25.700
flat angles C4'-P-C4' energy: -25.033
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -266.339001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.339001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.339001 (E_RNA)
where:
Base-Base interactions energy: -153.653
where: short stacking energy: -83.080
Base-Backbone interact. energy: -0.697
local terms energy: -111.988453
where:
bonds (distance) C4'-P energy: -27.999
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -26.894
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -160.469977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.469977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.469977 (E_RNA)
where:
Base-Base interactions energy: -74.458
where: short stacking energy: -54.786
Base-Backbone interact. energy: -0.875
local terms energy: -85.137703
where:
bonds (distance) C4'-P energy: -22.555
bonds (distance) P-C4' energy: -28.604
flat angles C4'-P-C4' energy: -23.045
flat angles P-C4'-P energy: -11.747
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: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -123.584542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.584542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.584542 (E_RNA)
where:
Base-Base interactions energy: -50.344
where: short stacking energy: -36.284
Base-Backbone interact. energy: -0.915
local terms energy: -72.325398
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -25.553
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -15.039
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: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -138.866863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.866863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.866863 (E_RNA)
where:
Base-Base interactions energy: -54.025
where: short stacking energy: -52.105
Base-Backbone interact. energy: -0.074
local terms energy: -84.767737
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -19.055
tors. eta vs tors. theta energy: -3.068
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -431.157160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.157160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.157160 (E_RNA)
where:
Base-Base interactions energy: -285.006
where: short stacking energy: -146.981
Base-Backbone interact. energy: -1.176
local terms energy: -144.975343
where:
bonds (distance) C4'-P energy: -28.356
bonds (distance) P-C4' energy: -27.682
flat angles C4'-P-C4' energy: -28.771
flat angles P-C4'-P energy: -20.245
tors. eta vs tors. theta energy: -39.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -402.205744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.205744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.205744 (E_RNA)
where:
Base-Base interactions energy: -272.849
where: short stacking energy: -123.229
Base-Backbone interact. energy: -0.390
local terms energy: -128.966510
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -26.808
flat angles C4'-P-C4' energy: -27.867
flat angles P-C4'-P energy: -20.582
tors. eta vs tors. theta energy: -35.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -334.469698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.469698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.469698 (E_RNA)
where:
Base-Base interactions energy: -208.154
where: short stacking energy: -117.253
Base-Backbone interact. energy: -0.565
local terms energy: -125.750541
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -29.117
flat angles C4'-P-C4' energy: -28.379
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -29.568
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: 9
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -346.795157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.795157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.795157 (E_RNA)
where:
Base-Base interactions energy: -222.489
where: short stacking energy: -120.744
Base-Backbone interact. energy: -0.179
local terms energy: -124.127405
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -29.033
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -32.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -287.281674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.281674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.281674 (E_RNA)
where:
Base-Base interactions energy: -170.929
where: short stacking energy: -100.523
Base-Backbone interact. energy: -0.260
local terms energy: -116.093319
where:
bonds (distance) C4'-P energy: -27.251
bonds (distance) P-C4' energy: -22.099
flat angles C4'-P-C4' energy: -26.480
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -23.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -292.918258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.918258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.918258 (E_RNA)
where:
Base-Base interactions energy: -172.109
where: short stacking energy: -99.421
Base-Backbone interact. energy: -1.342
local terms energy: -119.467059
where:
bonds (distance) C4'-P energy: -24.846
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -21.331
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -27.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -270.995090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.995090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.995090 (E_RNA)
where:
Base-Base interactions energy: -161.992
where: short stacking energy: -86.717
Base-Backbone interact. energy: -0.410
local terms energy: -108.593217
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -27.995
flat angles C4'-P-C4' energy: -22.067
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -136.731338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.731338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.731338 (E_RNA)
where:
Base-Base interactions energy: -55.235
where: short stacking energy: -46.873
Base-Backbone interact. energy: -0.137
local terms energy: -81.359683
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -22.607
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -17.491
tors. eta vs tors. theta energy: 1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -137.185097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.185097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.185097 (E_RNA)
where:
Base-Base interactions energy: -53.905
where: short stacking energy: -53.905
Base-Backbone interact. energy: 0.591
local terms energy: -83.871769
where:
bonds (distance) C4'-P energy: -18.876
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -25.956
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -11.004
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: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -129.484123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.484123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.484123 (E_RNA)
where:
Base-Base interactions energy: -46.637
where: short stacking energy: -45.093
Base-Backbone interact. energy: -1.034
local terms energy: -81.812852
where:
bonds (distance) C4'-P energy: -24.873
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: -3.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -427.766500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.766500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.766500 (E_RNA)
where:
Base-Base interactions energy: -284.081
where: short stacking energy: -140.931
Base-Backbone interact. energy: -0.241
local terms energy: -143.445003
where:
bonds (distance) C4'-P energy: -25.536
bonds (distance) P-C4' energy: -26.220
flat angles C4'-P-C4' energy: -30.802
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -42.475
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: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -406.056796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.056796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.056796 (E_RNA)
where:
Base-Base interactions energy: -265.384
where: short stacking energy: -125.806
Base-Backbone interact. energy: -0.539
local terms energy: -140.133473
where:
bonds (distance) C4'-P energy: -29.812
bonds (distance) P-C4' energy: -22.229
flat angles C4'-P-C4' energy: -28.042
flat angles P-C4'-P energy: -23.296
tors. eta vs tors. theta energy: -36.754
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: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -358.548617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.548617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.548617 (E_RNA)
where:
Base-Base interactions energy: -222.052
where: short stacking energy: -120.426
Base-Backbone interact. energy: -1.285
local terms energy: -135.212296
where:
bonds (distance) C4'-P energy: -26.733
bonds (distance) P-C4' energy: -25.726
flat angles C4'-P-C4' energy: -28.387
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -34.071
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: 366
Temperature: 1.050000
Total energy: -321.224896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.224896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.224896 (E_RNA)
where:
Base-Base interactions energy: -200.828
where: short stacking energy: -100.366
Base-Backbone interact. energy: -0.112
local terms energy: -120.285412
where:
bonds (distance) C4'-P energy: -27.763
bonds (distance) P-C4' energy: -25.166
flat angles C4'-P-C4' energy: -23.893
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -28.414
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: 5, replica: 8
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -318.995378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.995378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.995378 (E_RNA)
where:
Base-Base interactions energy: -200.806
where: short stacking energy: -112.490
Base-Backbone interact. energy: 0.289
local terms energy: -118.478414
where:
bonds (distance) C4'-P energy: -22.390
bonds (distance) P-C4' energy: -28.118
flat angles C4'-P-C4' energy: -28.739
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -22.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -265.535163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.535163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.535163 (E_RNA)
where:
Base-Base interactions energy: -161.819
where: short stacking energy: -94.031
Base-Backbone interact. energy: -0.279
local terms energy: -103.437871
where:
bonds (distance) C4'-P energy: -23.639
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -21.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -228.984385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.984385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.984385 (E_RNA)
where:
Base-Base interactions energy: -145.328
where: short stacking energy: -80.505
Base-Backbone interact. energy: -0.013
local terms energy: -83.642916
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -22.086
flat angles C4'-P-C4' energy: -23.872
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -3.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -145.065575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.065575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.065575 (E_RNA)
where:
Base-Base interactions energy: -59.318
where: short stacking energy: -44.949
Base-Backbone interact. energy: -0.778
local terms energy: -84.969786
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -23.660
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -1.898
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: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -141.799977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.799977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.799977 (E_RNA)
where:
Base-Base interactions energy: -54.134
where: short stacking energy: -51.547
Base-Backbone interact. energy: -1.435
local terms energy: -86.230751
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -27.009
flat angles C4'-P-C4' energy: -20.601
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -131.763662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.763662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.763662 (E_RNA)
where:
Base-Base interactions energy: -52.340
where: short stacking energy: -36.820
Base-Backbone interact. energy: -1.378
local terms energy: -78.045388
where:
bonds (distance) C4'-P energy: -23.436
bonds (distance) P-C4' energy: -23.139
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -428.765426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.765426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.765426 (E_RNA)
where:
Base-Base interactions energy: -287.144
where: short stacking energy: -144.231
Base-Backbone interact. energy: -0.722
local terms energy: -140.899613
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -27.449
flat angles C4'-P-C4' energy: -30.166
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -43.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -397.449291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.449291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.449291 (E_RNA)
where:
Base-Base interactions energy: -259.450
where: short stacking energy: -119.666
Base-Backbone interact. energy: -0.224
local terms energy: -137.775036
where:
bonds (distance) C4'-P energy: -29.942
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -29.207
flat angles P-C4'-P energy: -21.189
tors. eta vs tors. theta energy: -34.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -342.863857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.863857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.863857 (E_RNA)
where:
Base-Base interactions energy: -212.480
where: short stacking energy: -114.716
Base-Backbone interact. energy: -0.927
local terms energy: -129.457425
where:
bonds (distance) C4'-P energy: -26.041
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -27.719
flat angles P-C4'-P energy: -21.121
tors. eta vs tors. theta energy: -29.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -321.503356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.503356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.503356 (E_RNA)
where:
Base-Base interactions energy: -203.298
where: short stacking energy: -109.043
Base-Backbone interact. energy: -0.626
local terms energy: -117.579594
where:
bonds (distance) C4'-P energy: -25.464
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -25.048
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -27.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -306.629772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.629772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.629772 (E_RNA)
where:
Base-Base interactions energy: -183.816
where: short stacking energy: -95.642
Base-Backbone interact. energy: -0.765
local terms energy: -122.048953
where:
bonds (distance) C4'-P energy: -25.533
bonds (distance) P-C4' energy: -25.894
flat angles C4'-P-C4' energy: -26.425
flat angles P-C4'-P energy: -17.933
tors. eta vs tors. theta energy: -26.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -260.254282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.254282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.254282 (E_RNA)
where:
Base-Base interactions energy: -152.195
where: short stacking energy: -77.758
Base-Backbone interact. energy: -0.214
local terms energy: -107.845820
where:
bonds (distance) C4'-P energy: -27.946
bonds (distance) P-C4' energy: -23.410
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -15.013
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: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -241.488679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.488679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.488679 (E_RNA)
where:
Base-Base interactions energy: -145.336
where: short stacking energy: -79.185
Base-Backbone interact. energy: -0.487
local terms energy: -95.666070
where:
bonds (distance) C4'-P energy: -25.368
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -167.641582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.641582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.641582 (E_RNA)
where:
Base-Base interactions energy: -89.708
where: short stacking energy: -59.479
Base-Backbone interact. energy: -0.235
local terms energy: -77.698897
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -8.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -133.822355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.822355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.822355 (E_RNA)
where:
Base-Base interactions energy: -52.278
where: short stacking energy: -45.170
Base-Backbone interact. energy: -1.436
local terms energy: -80.109046
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -23.785
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -16.400
tors. eta vs tors. theta energy: -0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -120.123797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.123797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.123797 (E_RNA)
where:
Base-Base interactions energy: -38.916
where: short stacking energy: -38.422
Base-Backbone interact. energy: -0.244
local terms energy: -80.963493
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -24.401
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -9.907
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -430.083743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.083743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.083743 (E_RNA)
where:
Base-Base interactions energy: -285.342
where: short stacking energy: -136.330
Base-Backbone interact. energy: -0.002
local terms energy: -144.739630
where:
bonds (distance) C4'-P energy: -24.983
bonds (distance) P-C4' energy: -26.369
flat angles C4'-P-C4' energy: -29.774
flat angles P-C4'-P energy: -17.654
tors. eta vs tors. theta energy: -45.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -398.334166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.334166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.334166 (E_RNA)
where:
Base-Base interactions energy: -264.035
where: short stacking energy: -128.707
Base-Backbone interact. energy: -0.674
local terms energy: -133.624626
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -26.499
flat angles C4'-P-C4' energy: -26.763
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -35.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -345.537339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.537339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.537339 (E_RNA)
where:
Base-Base interactions energy: -224.960
where: short stacking energy: -122.459
Base-Backbone interact. energy: -0.352
local terms energy: -120.225434
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -27.090
flat angles C4'-P-C4' energy: -28.416
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -31.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -324.953655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.953655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.953655 (E_RNA)
where:
Base-Base interactions energy: -196.985
where: short stacking energy: -97.491
Base-Backbone interact. energy: -0.396
local terms energy: -127.572834
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -29.910
flat angles C4'-P-C4' energy: -28.213
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -24.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -303.875735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.875735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.875735 (E_RNA)
where:
Base-Base interactions energy: -183.173
where: short stacking energy: -99.200
Base-Backbone interact. energy: -0.669
local terms energy: -120.034299
where:
bonds (distance) C4'-P energy: -26.211
bonds (distance) P-C4' energy: -26.814
flat angles C4'-P-C4' energy: -25.750
flat angles P-C4'-P energy: -21.398
tors. eta vs tors. theta energy: -19.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -247.567784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.567784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.567784 (E_RNA)
where:
Base-Base interactions energy: -141.045
where: short stacking energy: -80.909
Base-Backbone interact. energy: -0.199
local terms energy: -106.323792
where:
bonds (distance) C4'-P energy: -27.515
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -15.173
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: 7, replica: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -266.128414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.128414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.128414 (E_RNA)
where:
Base-Base interactions energy: -156.511
where: short stacking energy: -66.662
Base-Backbone interact. energy: -1.016
local terms energy: -108.601787
where:
bonds (distance) C4'-P energy: -26.365
bonds (distance) P-C4' energy: -29.668
flat angles C4'-P-C4' energy: -23.645
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -236.145265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.145265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.145265 (E_RNA)
where:
Base-Base interactions energy: -129.794
where: short stacking energy: -76.688
Base-Backbone interact. energy: -0.157
local terms energy: -106.193687
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -25.427
flat angles C4'-P-C4' energy: -26.516
flat angles P-C4'-P energy: -16.395
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: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -142.533684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.533684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.533684 (E_RNA)
where:
Base-Base interactions energy: -65.806
where: short stacking energy: -60.058
Base-Backbone interact. energy: -1.170
local terms energy: -75.557595
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -24.912
flat angles C4'-P-C4' energy: -22.872
flat angles P-C4'-P energy: -0.401
tors. eta vs tors. theta energy: -11.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -124.388985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.388985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.388985 (E_RNA)
where:
Base-Base interactions energy: -40.605
where: short stacking energy: -40.023
Base-Backbone interact. energy: 1.583
local terms energy: -85.367239
where:
bonds (distance) C4'-P energy: -24.630
bonds (distance) P-C4' energy: -26.206
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -3.197
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -433.830274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.830274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.830274 (E_RNA)
where:
Base-Base interactions energy: -287.728
where: short stacking energy: -138.736
Base-Backbone interact. energy: -0.417
local terms energy: -145.684797
where:
bonds (distance) C4'-P energy: -27.953
bonds (distance) P-C4' energy: -24.914
flat angles C4'-P-C4' energy: -30.264
flat angles P-C4'-P energy: -19.497
tors. eta vs tors. theta energy: -43.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -398.967177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.967177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.967177 (E_RNA)
where:
Base-Base interactions energy: -268.845
where: short stacking energy: -134.648
Base-Backbone interact. energy: 2.544
local terms energy: -132.666324
where:
bonds (distance) C4'-P energy: -28.345
bonds (distance) P-C4' energy: -24.234
flat angles C4'-P-C4' energy: -28.405
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -35.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -344.631456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.631456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.631456 (E_RNA)
where:
Base-Base interactions energy: -225.830
where: short stacking energy: -112.149
Base-Backbone interact. energy: -2.113
local terms energy: -116.688876
where:
bonds (distance) C4'-P energy: -26.173
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -22.304
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -30.717
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: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -335.407328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.407328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.407328 (E_RNA)
where:
Base-Base interactions energy: -214.993
where: short stacking energy: -121.308
Base-Backbone interact. energy: -0.117
local terms energy: -120.298001
where:
bonds (distance) C4'-P energy: -22.634
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -27.403
flat angles P-C4'-P energy: -19.201
tors. eta vs tors. theta energy: -35.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -297.598256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.598256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.598256 (E_RNA)
where:
Base-Base interactions energy: -182.206
where: short stacking energy: -105.657
Base-Backbone interact. energy: -0.301
local terms energy: -115.091355
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -27.880
flat angles C4'-P-C4' energy: -23.109
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -28.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -274.586164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.586164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.586164 (E_RNA)
where:
Base-Base interactions energy: -159.783
where: short stacking energy: -89.850
Base-Backbone interact. energy: -2.986
local terms energy: -111.816464
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -24.081
flat angles C4'-P-C4' energy: -24.262
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -22.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -239.203518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.203518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.203518 (E_RNA)
where:
Base-Base interactions energy: -134.026
where: short stacking energy: -76.007
Base-Backbone interact. energy: -0.549
local terms energy: -104.628527
where:
bonds (distance) C4'-P energy: -23.847
bonds (distance) P-C4' energy: -29.693
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -15.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -239.270109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.270109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.270109 (E_RNA)
where:
Base-Base interactions energy: -141.221
where: short stacking energy: -74.951
Base-Backbone interact. energy: -0.351
local terms energy: -97.698406
where:
bonds (distance) C4'-P energy: -20.837
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -24.803
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -11.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -134.187016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.187016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.187016 (E_RNA)
where:
Base-Base interactions energy: -44.347
where: short stacking energy: -33.832
Base-Backbone interact. energy: -0.543
local terms energy: -89.296595
where:
bonds (distance) C4'-P energy: -27.874
bonds (distance) P-C4' energy: -26.941
flat angles C4'-P-C4' energy: -25.867
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -130.587740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.587740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.587740 (E_RNA)
where:
Base-Base interactions energy: -60.168
where: short stacking energy: -51.951
Base-Backbone interact. energy: -0.550
local terms energy: -69.870321
where:
bonds (distance) C4'-P energy: -24.199
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -7.558
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -442.066228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.066228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.066228 (E_RNA)
where:
Base-Base interactions energy: -302.913
where: short stacking energy: -148.218
Base-Backbone interact. energy: -0.451
local terms energy: -138.702436
where:
bonds (distance) C4'-P energy: -27.031
bonds (distance) P-C4' energy: -27.495
flat angles C4'-P-C4' energy: -24.797
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -43.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -405.624564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.624564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.624564 (E_RNA)
where:
Base-Base interactions energy: -264.387
where: short stacking energy: -125.997
Base-Backbone interact. energy: -0.519
local terms energy: -140.718530
where:
bonds (distance) C4'-P energy: -23.765
bonds (distance) P-C4' energy: -29.921
flat angles C4'-P-C4' energy: -27.978
flat angles P-C4'-P energy: -24.017
tors. eta vs tors. theta energy: -35.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -351.974563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.974563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.974563 (E_RNA)
where:
Base-Base interactions energy: -225.792
where: short stacking energy: -128.626
Base-Backbone interact. energy: -0.208
local terms energy: -125.974436
where:
bonds (distance) C4'-P energy: -22.845
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -28.254
flat angles P-C4'-P energy: -20.177
tors. eta vs tors. theta energy: -34.029
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: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -346.374601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.374601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.374601 (E_RNA)
where:
Base-Base interactions energy: -225.465
where: short stacking energy: -123.376
Base-Backbone interact. energy: -1.005
local terms energy: -119.904323
where:
bonds (distance) C4'-P energy: -19.650
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -28.622
flat angles P-C4'-P energy: -20.858
tors. eta vs tors. theta energy: -32.158
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: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -299.091405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.091405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.091405 (E_RNA)
where:
Base-Base interactions energy: -179.714
where: short stacking energy: -100.807
Base-Backbone interact. energy: -1.559
local terms energy: -117.818147
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -29.249
flat angles C4'-P-C4' energy: -25.952
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -28.213
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: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -251.309600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.309600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.309600 (E_RNA)
where:
Base-Base interactions energy: -144.674
where: short stacking energy: -73.688
Base-Backbone interact. energy: -1.193
local terms energy: -105.442505
where:
bonds (distance) C4'-P energy: -27.391
bonds (distance) P-C4' energy: -27.696
flat angles C4'-P-C4' energy: -24.726
flat angles P-C4'-P energy: -14.470
tors. eta vs tors. theta energy: -11.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -249.802544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.802544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.802544 (E_RNA)
where:
Base-Base interactions energy: -146.286
where: short stacking energy: -84.138
Base-Backbone interact. energy: -0.168
local terms energy: -103.348147
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -24.223
flat angles C4'-P-C4' energy: -24.016
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -21.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -234.225263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.225263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.225263 (E_RNA)
where:
Base-Base interactions energy: -130.236
where: short stacking energy: -76.147
Base-Backbone interact. energy: 0.470
local terms energy: -104.459253
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -27.286
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -135.659596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.659596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.659596 (E_RNA)
where:
Base-Base interactions energy: -57.125
where: short stacking energy: -53.542
Base-Backbone interact. energy: -2.267
local terms energy: -76.267104
where:
bonds (distance) C4'-P energy: -24.011
bonds (distance) P-C4' energy: -22.622
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -1.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -128.536658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.536658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.536658 (E_RNA)
where:
Base-Base interactions energy: -46.581
where: short stacking energy: -36.901
Base-Backbone interact. energy: -0.312
local terms energy: -81.643153
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -28.167
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -7.770
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -422.521065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.521065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.521065 (E_RNA)
where:
Base-Base interactions energy: -279.659
where: short stacking energy: -139.490
Base-Backbone interact. energy: -0.819
local terms energy: -142.043542
where:
bonds (distance) C4'-P energy: -28.430
bonds (distance) P-C4' energy: -24.075
flat angles C4'-P-C4' energy: -27.978
flat angles P-C4'-P energy: -19.675
tors. eta vs tors. theta energy: -41.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -394.792501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.792501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.792501 (E_RNA)
where:
Base-Base interactions energy: -258.514
where: short stacking energy: -126.283
Base-Backbone interact. energy: -0.650
local terms energy: -135.628708
where:
bonds (distance) C4'-P energy: -27.061
bonds (distance) P-C4' energy: -29.128
flat angles C4'-P-C4' energy: -26.414
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: -31.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -352.144880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.144880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.144880 (E_RNA)
where:
Base-Base interactions energy: -226.029
where: short stacking energy: -115.894
Base-Backbone interact. energy: 0.139
local terms energy: -126.255000
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -27.530
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -32.881
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: 371
Temperature: 1.050000
Total energy: -338.858445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.858445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.858445 (E_RNA)
where:
Base-Base interactions energy: -209.357
where: short stacking energy: -114.211
Base-Backbone interact. energy: -0.360
local terms energy: -129.141991
where:
bonds (distance) C4'-P energy: -23.160
bonds (distance) P-C4' energy: -26.381
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -33.222
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: 371
Temperature: 1.100000
Total energy: -295.878628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.878628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.878628 (E_RNA)
where:
Base-Base interactions energy: -173.063
where: short stacking energy: -102.803
Base-Backbone interact. energy: -1.189
local terms energy: -121.627007
where:
bonds (distance) C4'-P energy: -24.202
bonds (distance) P-C4' energy: -24.853
flat angles C4'-P-C4' energy: -29.183
flat angles P-C4'-P energy: -19.186
tors. eta vs tors. theta energy: -24.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -252.911893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.911893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.911893 (E_RNA)
where:
Base-Base interactions energy: -157.762
where: short stacking energy: -101.280
Base-Backbone interact. energy: -0.278
local terms energy: -94.872074
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -25.719
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -17.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -255.549176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.549176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.549176 (E_RNA)
where:
Base-Base interactions energy: -162.642
where: short stacking energy: -87.705
Base-Backbone interact. energy: 2.567
local terms energy: -95.473729
where:
bonds (distance) C4'-P energy: -18.461
bonds (distance) P-C4' energy: -18.317
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: -19.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -232.019980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.019980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.019980 (E_RNA)
where:
Base-Base interactions energy: -138.887
where: short stacking energy: -73.997
Base-Backbone interact. energy: -0.232
local terms energy: -92.900920
where:
bonds (distance) C4'-P energy: -22.705
bonds (distance) P-C4' energy: -23.418
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -12.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -138.254635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.254635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.254635 (E_RNA)
where:
Base-Base interactions energy: -63.059
where: short stacking energy: -63.059
Base-Backbone interact. energy: -0.397
local terms energy: -74.799409
where:
bonds (distance) C4'-P energy: -20.100
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -9.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -123.675525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.675525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.675525 (E_RNA)
where:
Base-Base interactions energy: -52.159
where: short stacking energy: -34.724
Base-Backbone interact. energy: -0.673
local terms energy: -70.843806
where:
bonds (distance) C4'-P energy: -21.832
bonds (distance) P-C4' energy: -25.659
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -1.875
tors. eta vs tors. theta energy: -3.880
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -428.774880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.774880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.774880 (E_RNA)
where:
Base-Base interactions energy: -289.726
where: short stacking energy: -141.254
Base-Backbone interact. energy: -0.187
local terms energy: -138.861659
where:
bonds (distance) C4'-P energy: -24.901
bonds (distance) P-C4' energy: -23.566
flat angles C4'-P-C4' energy: -33.012
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -42.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -391.919258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.919258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.919258 (E_RNA)
where:
Base-Base interactions energy: -257.977
where: short stacking energy: -122.809
Base-Backbone interact. energy: -1.335
local terms energy: -132.607124
where:
bonds (distance) C4'-P energy: -22.459
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -27.801
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -35.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -343.986865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.986865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.986865 (E_RNA)
where:
Base-Base interactions energy: -212.583
where: short stacking energy: -115.987
Base-Backbone interact. energy: -0.098
local terms energy: -131.305864
where:
bonds (distance) C4'-P energy: -27.006
bonds (distance) P-C4' energy: -27.229
flat angles C4'-P-C4' energy: -26.119
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -31.906
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: 372
Temperature: 1.050000
Total energy: -353.103390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.103390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.103390 (E_RNA)
where:
Base-Base interactions energy: -221.502
where: short stacking energy: -129.444
Base-Backbone interact. energy: 0.001
local terms energy: -131.602910
where:
bonds (distance) C4'-P energy: -23.292
bonds (distance) P-C4' energy: -23.460
flat angles C4'-P-C4' energy: -29.701
flat angles P-C4'-P energy: -21.502
tors. eta vs tors. theta energy: -33.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -276.219366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.219366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.219366 (E_RNA)
where:
Base-Base interactions energy: -161.192
where: short stacking energy: -101.118
Base-Backbone interact. energy: -0.115
local terms energy: -114.912063
where:
bonds (distance) C4'-P energy: -26.713
bonds (distance) P-C4' energy: -25.578
flat angles C4'-P-C4' energy: -28.234
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -271.895984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.895984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.895984 (E_RNA)
where:
Base-Base interactions energy: -161.605
where: short stacking energy: -86.765
Base-Backbone interact. energy: -0.682
local terms energy: -109.608621
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -25.180
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -21.139
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: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -261.185202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.185202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.185202 (E_RNA)
where:
Base-Base interactions energy: -159.918
where: short stacking energy: -85.689
Base-Backbone interact. energy: -0.701
local terms energy: -100.566757
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -27.914
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -230.456188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.456188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.456188 (E_RNA)
where:
Base-Base interactions energy: -146.251
where: short stacking energy: -68.924
Base-Backbone interact. energy: 0.132
local terms energy: -84.336960
where:
bonds (distance) C4'-P energy: -7.118
bonds (distance) P-C4' energy: -25.350
flat angles C4'-P-C4' energy: -23.229
flat angles P-C4'-P energy: -18.596
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: 9, replica: 10
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -132.911962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.911962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.911962 (E_RNA)
where:
Base-Base interactions energy: -52.722
where: short stacking energy: -49.815
Base-Backbone interact. energy: 0.197
local terms energy: -80.386804
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -28.576
flat angles C4'-P-C4' energy: -24.072
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: 0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -118.844171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.844171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.844171 (E_RNA)
where:
Base-Base interactions energy: -31.409
where: short stacking energy: -31.409
Base-Backbone interact. energy: -0.560
local terms energy: -86.875345
where:
bonds (distance) C4'-P energy: -25.154
bonds (distance) P-C4' energy: -24.298
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -17.657
tors. eta vs tors. theta energy: -2.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -419.075717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.075717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.075717 (E_RNA)
where:
Base-Base interactions energy: -286.664
where: short stacking energy: -138.157
Base-Backbone interact. energy: -0.638
local terms energy: -131.773847
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -27.944
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -41.256
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: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -394.286092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.286092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.286092 (E_RNA)
where:
Base-Base interactions energy: -268.105
where: short stacking energy: -130.923
Base-Backbone interact. energy: -0.660
local terms energy: -125.521056
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -32.047
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -30.466
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: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -360.787922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.787922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.787922 (E_RNA)
where:
Base-Base interactions energy: -228.577
where: short stacking energy: -128.580
Base-Backbone interact. energy: -0.953
local terms energy: -131.258095
where:
bonds (distance) C4'-P energy: -25.719
bonds (distance) P-C4' energy: -25.635
flat angles C4'-P-C4' energy: -24.630
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -39.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -321.648825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.648825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.648825 (E_RNA)
where:
Base-Base interactions energy: -207.718
where: short stacking energy: -118.755
Base-Backbone interact. energy: 2.509
local terms energy: -116.439659
where:
bonds (distance) C4'-P energy: -22.861
bonds (distance) P-C4' energy: -21.355
flat angles C4'-P-C4' energy: -27.102
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -30.410
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: 373
Temperature: 1.100000
Total energy: -276.961756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.961756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.961756 (E_RNA)
where:
Base-Base interactions energy: -162.318
where: short stacking energy: -94.133
Base-Backbone interact. energy: -0.020
local terms energy: -114.623626
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -25.820
flat angles C4'-P-C4' energy: -28.689
flat angles P-C4'-P energy: -16.537
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -243.602002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.602002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.602002 (E_RNA)
where:
Base-Base interactions energy: -146.880
where: short stacking energy: -82.960
Base-Backbone interact. energy: 1.354
local terms energy: -98.076018
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -24.193
flat angles C4'-P-C4' energy: -26.085
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -12.864
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: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -274.991424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.991424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.991424 (E_RNA)
where:
Base-Base interactions energy: -157.734
where: short stacking energy: -81.759
Base-Backbone interact. energy: -0.361
local terms energy: -116.896702
where:
bonds (distance) C4'-P energy: -20.382
bonds (distance) P-C4' energy: -29.942
flat angles C4'-P-C4' energy: -26.828
flat angles P-C4'-P energy: -20.899
tors. eta vs tors. theta energy: -18.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -248.389967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.389967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.389967 (E_RNA)
where:
Base-Base interactions energy: -152.845
where: short stacking energy: -75.278
Base-Backbone interact. energy: -0.226
local terms energy: -95.318889
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -23.943
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -5.477
tors. eta vs tors. theta energy: -21.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -150.562240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.562240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.562240 (E_RNA)
where:
Base-Base interactions energy: -65.707
where: short stacking energy: -50.330
Base-Backbone interact. energy: -0.282
local terms energy: -84.573524
where:
bonds (distance) C4'-P energy: -23.953
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -23.927
flat angles P-C4'-P energy: -13.498
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: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -129.739748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.739748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.739748 (E_RNA)
where:
Base-Base interactions energy: -61.786
where: short stacking energy: -59.692
Base-Backbone interact. energy: -0.432
local terms energy: -67.521349
where:
bonds (distance) C4'-P energy: -22.853
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -11.689
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -431.868012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.868012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.868012 (E_RNA)
where:
Base-Base interactions energy: -281.142
where: short stacking energy: -136.766
Base-Backbone interact. energy: -0.681
local terms energy: -150.044493
where:
bonds (distance) C4'-P energy: -28.550
bonds (distance) P-C4' energy: -26.130
flat angles C4'-P-C4' energy: -30.414
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -43.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -399.285634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.285634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.285634 (E_RNA)
where:
Base-Base interactions energy: -268.070
where: short stacking energy: -132.814
Base-Backbone interact. energy: -0.341
local terms energy: -130.874569
where:
bonds (distance) C4'-P energy: -22.455
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -27.982
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: -34.017
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: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -352.201505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.201505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.201505 (E_RNA)
where:
Base-Base interactions energy: -219.487
where: short stacking energy: -118.879
Base-Backbone interact. energy: -0.498
local terms energy: -132.216013
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -29.122
flat angles C4'-P-C4' energy: -25.835
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -31.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -344.968488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.968488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.968488 (E_RNA)
where:
Base-Base interactions energy: -212.879
where: short stacking energy: -107.319
Base-Backbone interact. energy: -0.401
local terms energy: -131.688807
where:
bonds (distance) C4'-P energy: -26.890
bonds (distance) P-C4' energy: -24.860
flat angles C4'-P-C4' energy: -29.156
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -34.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -273.466240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.466240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.466240 (E_RNA)
where:
Base-Base interactions energy: -144.393
where: short stacking energy: -87.696
Base-Backbone interact. energy: -2.288
local terms energy: -126.785294
where:
bonds (distance) C4'-P energy: -29.464
bonds (distance) P-C4' energy: -23.120
flat angles C4'-P-C4' energy: -26.883
flat angles P-C4'-P energy: -21.363
tors. eta vs tors. theta energy: -25.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -257.549056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.549056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.549056 (E_RNA)
where:
Base-Base interactions energy: -157.870
where: short stacking energy: -74.899
Base-Backbone interact. energy: 3.788
local terms energy: -103.467328
where:
bonds (distance) C4'-P energy: -26.782
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: -15.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -283.348880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.348880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.348880 (E_RNA)
where:
Base-Base interactions energy: -185.334
where: short stacking energy: -102.065
Base-Backbone interact. energy: -0.052
local terms energy: -97.962719
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -29.287
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: -19.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -249.546733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.546733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.546733 (E_RNA)
where:
Base-Base interactions energy: -152.216
where: short stacking energy: -68.877
Base-Backbone interact. energy: -0.479
local terms energy: -96.851968
where:
bonds (distance) C4'-P energy: -24.910
bonds (distance) P-C4' energy: -27.625
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -131.987541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.987541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.987541 (E_RNA)
where:
Base-Base interactions energy: -47.497
where: short stacking energy: -47.497
Base-Backbone interact. energy: -0.304
local terms energy: -84.186623
where:
bonds (distance) C4'-P energy: -25.486
bonds (distance) P-C4' energy: -28.135
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -123.330365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.330365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.330365 (E_RNA)
where:
Base-Base interactions energy: -47.855
where: short stacking energy: -25.209
Base-Backbone interact. energy: -0.872
local terms energy: -74.603821
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: 2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -422.165990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.165990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.165990 (E_RNA)
where:
Base-Base interactions energy: -284.365
where: short stacking energy: -139.163
Base-Backbone interact. energy: -0.001
local terms energy: -137.799651
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -23.593
flat angles C4'-P-C4' energy: -25.300
flat angles P-C4'-P energy: -21.447
tors. eta vs tors. theta energy: -41.152
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: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -372.046915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.046915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.046915 (E_RNA)
where:
Base-Base interactions energy: -238.758
where: short stacking energy: -133.308
Base-Backbone interact. energy: -0.205
local terms energy: -133.083568
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -28.071
flat angles C4'-P-C4' energy: -28.543
flat angles P-C4'-P energy: -17.484
tors. eta vs tors. theta energy: -35.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -394.036776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.036776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.036776 (E_RNA)
where:
Base-Base interactions energy: -270.800
where: short stacking energy: -128.162
Base-Backbone interact. energy: -0.376
local terms energy: -122.860269
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -26.384
flat angles P-C4'-P energy: -22.456
tors. eta vs tors. theta energy: -35.909
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: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -338.608240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.608240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.608240 (E_RNA)
where:
Base-Base interactions energy: -206.526
where: short stacking energy: -113.003
Base-Backbone interact. energy: -0.922
local terms energy: -131.160761
where:
bonds (distance) C4'-P energy: -24.924
bonds (distance) P-C4' energy: -25.428
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -22.076
tors. eta vs tors. theta energy: -33.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -265.951694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.951694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.951694 (E_RNA)
where:
Base-Base interactions energy: -156.794
where: short stacking energy: -81.414
Base-Backbone interact. energy: 1.032
local terms energy: -110.190422
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -25.553
flat angles C4'-P-C4' energy: -26.970
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -289.673644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.673644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.673644 (E_RNA)
where:
Base-Base interactions energy: -166.864
where: short stacking energy: -99.271
Base-Backbone interact. energy: -1.072
local terms energy: -121.737680
where:
bonds (distance) C4'-P energy: -25.357
bonds (distance) P-C4' energy: -24.981
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -32.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -236.357151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.357151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.357151 (E_RNA)
where:
Base-Base interactions energy: -146.416
where: short stacking energy: -66.977
Base-Backbone interact. energy: -0.885
local terms energy: -89.055906
where:
bonds (distance) C4'-P energy: -24.931
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -10.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -262.432948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.432948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.432948 (E_RNA)
where:
Base-Base interactions energy: -157.568
where: short stacking energy: -83.719
Base-Backbone interact. energy: -1.636
local terms energy: -103.228875
where:
bonds (distance) C4'-P energy: -26.463
bonds (distance) P-C4' energy: -26.622
flat angles C4'-P-C4' energy: -27.854
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -145.141168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.141168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.141168 (E_RNA)
where:
Base-Base interactions energy: -54.402
where: short stacking energy: -54.402
Base-Backbone interact. energy: -0.221
local terms energy: -90.517678
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -25.686
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -120.644761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.644761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.644761 (E_RNA)
where:
Base-Base interactions energy: -52.135
where: short stacking energy: -50.391
Base-Backbone interact. energy: -0.153
local terms energy: -68.356576
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -19.793
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -425.083974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.083974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.083974 (E_RNA)
where:
Base-Base interactions energy: -288.714
where: short stacking energy: -141.637
Base-Backbone interact. energy: -0.221
local terms energy: -136.148333
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -26.676
flat angles C4'-P-C4' energy: -30.482
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -40.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -360.266040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.266040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.266040 (E_RNA)
where:
Base-Base interactions energy: -224.984
where: short stacking energy: -127.269
Base-Backbone interact. energy: -0.669
local terms energy: -134.612216
where:
bonds (distance) C4'-P energy: -28.057
bonds (distance) P-C4' energy: -25.150
flat angles C4'-P-C4' energy: -27.507
flat angles P-C4'-P energy: -19.221
tors. eta vs tors. theta energy: -34.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -409.816870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.816870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.816870 (E_RNA)
where:
Base-Base interactions energy: -264.345
where: short stacking energy: -134.687
Base-Backbone interact. energy: -0.503
local terms energy: -144.968744
where:
bonds (distance) C4'-P energy: -26.140
bonds (distance) P-C4' energy: -28.200
flat angles C4'-P-C4' energy: -31.945
flat angles P-C4'-P energy: -20.112
tors. eta vs tors. theta energy: -38.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -331.162050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.162050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.162050 (E_RNA)
where:
Base-Base interactions energy: -210.922
where: short stacking energy: -111.060
Base-Backbone interact. energy: -0.308
local terms energy: -119.932168
where:
bonds (distance) C4'-P energy: -19.997
bonds (distance) P-C4' energy: -25.672
flat angles C4'-P-C4' energy: -29.439
flat angles P-C4'-P energy: -17.476
tors. eta vs tors. theta energy: -27.349
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: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -299.536088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.536088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.536088 (E_RNA)
where:
Base-Base interactions energy: -188.613
where: short stacking energy: -106.984
Base-Backbone interact. energy: -0.405
local terms energy: -110.517870
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -23.668
flat angles P-C4'-P energy: -16.820
tors. eta vs tors. theta energy: -29.233
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: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -253.592475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.592475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.592475 (E_RNA)
where:
Base-Base interactions energy: -138.281
where: short stacking energy: -79.563
Base-Backbone interact. energy: -1.340
local terms energy: -113.972359
where:
bonds (distance) C4'-P energy: -23.084
bonds (distance) P-C4' energy: -29.951
flat angles C4'-P-C4' energy: -21.556
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -22.373
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: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -275.444414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.444414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.444414 (E_RNA)
where:
Base-Base interactions energy: -164.396
where: short stacking energy: -83.823
Base-Backbone interact. energy: -0.191
local terms energy: -110.857942
where:
bonds (distance) C4'-P energy: -27.014
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -25.609
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -21.185
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: 5
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -236.442947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.442947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.442947 (E_RNA)
where:
Base-Base interactions energy: -150.697
where: short stacking energy: -96.571
Base-Backbone interact. energy: 1.871
local terms energy: -87.617012
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -22.530
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -19.480
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: 9, replica: 10
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -142.541624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.541624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.541624 (E_RNA)
where:
Base-Base interactions energy: -47.448
where: short stacking energy: -46.398
Base-Backbone interact. energy: -0.224
local terms energy: -94.869813
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -24.611
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -9.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -139.372422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.372422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.372422 (E_RNA)
where:
Base-Base interactions energy: -43.473
where: short stacking energy: -39.748
Base-Backbone interact. energy: -0.209
local terms energy: -95.690905
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -23.445
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -17.573
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -426.889007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.889007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.889007 (E_RNA)
where:
Base-Base interactions energy: -278.208
where: short stacking energy: -131.661
Base-Backbone interact. energy: 0.199
local terms energy: -148.880221
where:
bonds (distance) C4'-P energy: -29.189
bonds (distance) P-C4' energy: -24.985
flat angles C4'-P-C4' energy: -28.700
flat angles P-C4'-P energy: -24.834
tors. eta vs tors. theta energy: -41.173
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: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -364.250924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.250924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.250924 (E_RNA)
where:
Base-Base interactions energy: -239.713
where: short stacking energy: -118.371
Base-Backbone interact. energy: -0.717
local terms energy: -123.821211
where:
bonds (distance) C4'-P energy: -27.690
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -23.226
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -33.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -374.370672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.370672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.370672 (E_RNA)
where:
Base-Base interactions energy: -241.817
where: short stacking energy: -117.465
Base-Backbone interact. energy: -0.905
local terms energy: -131.648564
where:
bonds (distance) C4'-P energy: -27.831
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -30.862
flat angles P-C4'-P energy: -20.852
tors. eta vs tors. theta energy: -31.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -342.576254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.576254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.576254 (E_RNA)
where:
Base-Base interactions energy: -219.625
where: short stacking energy: -115.300
Base-Backbone interact. energy: -0.548
local terms energy: -122.404080
where:
bonds (distance) C4'-P energy: -25.607
bonds (distance) P-C4' energy: -27.483
flat angles C4'-P-C4' energy: -28.183
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -24.534
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: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -290.977847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.977847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.977847 (E_RNA)
where:
Base-Base interactions energy: -179.326
where: short stacking energy: -80.869
Base-Backbone interact. energy: -0.520
local terms energy: -111.132229
where:
bonds (distance) C4'-P energy: -22.963
bonds (distance) P-C4' energy: -29.438
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -23.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -273.213441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.213441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.213441 (E_RNA)
where:
Base-Base interactions energy: -168.932
where: short stacking energy: -91.653
Base-Backbone interact. energy: -1.025
local terms energy: -103.255918
where:
bonds (distance) C4'-P energy: -19.703
bonds (distance) P-C4' energy: -27.254
flat angles C4'-P-C4' energy: -24.556
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -23.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -248.365899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.365899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.365899 (E_RNA)
where:
Base-Base interactions energy: -149.179
where: short stacking energy: -89.444
Base-Backbone interact. energy: -0.259
local terms energy: -98.928102
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -18.132
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: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -245.656438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.656438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.656438 (E_RNA)
where:
Base-Base interactions energy: -147.740
where: short stacking energy: -69.721
Base-Backbone interact. energy: -0.193
local terms energy: -97.723870
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -25.693
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -13.199
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: 9, replica: 10
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -150.647262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.647262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.647262 (E_RNA)
where:
Base-Base interactions energy: -70.672
where: short stacking energy: -64.726
Base-Backbone interact. energy: 0.435
local terms energy: -80.410240
where:
bonds (distance) C4'-P energy: -29.094
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -15.860
tors. eta vs tors. theta energy: -9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -130.739228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.739228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.739228 (E_RNA)
where:
Base-Base interactions energy: -54.089
where: short stacking energy: -48.766
Base-Backbone interact. energy: -0.498
local terms energy: -76.152289
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -26.378
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -10.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -435.252201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.252201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.252201 (E_RNA)
where:
Base-Base interactions energy: -284.827
where: short stacking energy: -144.714
Base-Backbone interact. energy: -0.416
local terms energy: -150.010098
where:
bonds (distance) C4'-P energy: -26.286
bonds (distance) P-C4' energy: -26.264
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -22.989
tors. eta vs tors. theta energy: -44.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -378.512214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.512214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.512214 (E_RNA)
where:
Base-Base interactions energy: -255.205
where: short stacking energy: -127.738
Base-Backbone interact. energy: 3.182
local terms energy: -126.489298
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -25.621
flat angles C4'-P-C4' energy: -26.521
flat angles P-C4'-P energy: -19.810
tors. eta vs tors. theta energy: -30.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -381.667277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.667277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.667277 (E_RNA)
where:
Base-Base interactions energy: -255.624
where: short stacking energy: -134.901
Base-Backbone interact. energy: -0.293
local terms energy: -125.750120
where:
bonds (distance) C4'-P energy: -22.747
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -29.782
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -35.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -350.686137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.686137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.686137 (E_RNA)
where:
Base-Base interactions energy: -222.657
where: short stacking energy: -127.225
Base-Backbone interact. energy: -0.664
local terms energy: -127.365171
where:
bonds (distance) C4'-P energy: -26.360
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -26.100
flat angles P-C4'-P energy: -16.614
tors. eta vs tors. theta energy: -36.199
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: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -295.801177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.801177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.801177 (E_RNA)
where:
Base-Base interactions energy: -182.723
where: short stacking energy: -108.971
Base-Backbone interact. energy: -0.021
local terms energy: -113.056971
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -22.282
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -28.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -274.674071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.674071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.674071 (E_RNA)
where:
Base-Base interactions energy: -171.791
where: short stacking energy: -88.023
Base-Backbone interact. energy: -0.511
local terms energy: -102.372654
where:
bonds (distance) C4'-P energy: -23.934
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -24.328
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -22.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -236.725500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.725500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.725500 (E_RNA)
where:
Base-Base interactions energy: -134.937
where: short stacking energy: -74.595
Base-Backbone interact. energy: -0.936
local terms energy: -100.852677
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -27.658
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -235.029252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.029252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.029252 (E_RNA)
where:
Base-Base interactions energy: -140.700
where: short stacking energy: -75.462
Base-Backbone interact. energy: -0.599
local terms energy: -93.730811
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -23.757
flat angles C4'-P-C4' energy: -22.323
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -11.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -144.190950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.190950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.190950 (E_RNA)
where:
Base-Base interactions energy: -62.247
where: short stacking energy: -57.232
Base-Backbone interact. energy: -0.515
local terms energy: -81.428730
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -6.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -121.010108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.010108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.010108 (E_RNA)
where:
Base-Base interactions energy: -34.567
where: short stacking energy: -31.525
Base-Backbone interact. energy: -0.389
local terms energy: -86.053770
where:
bonds (distance) C4'-P energy: -28.625
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -428.583631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.583631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.583631 (E_RNA)
where:
Base-Base interactions energy: -288.315
where: short stacking energy: -144.581
Base-Backbone interact. energy: -0.001
local terms energy: -140.266881
where:
bonds (distance) C4'-P energy: -25.884
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -31.066
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -41.496
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: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -408.095017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.095017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.095017 (E_RNA)
where:
Base-Base interactions energy: -273.026
where: short stacking energy: -135.621
Base-Backbone interact. energy: 0.773
local terms energy: -135.842122
where:
bonds (distance) C4'-P energy: -23.446
bonds (distance) P-C4' energy: -27.766
flat angles C4'-P-C4' energy: -26.250
flat angles P-C4'-P energy: -20.884
tors. eta vs tors. theta energy: -37.496
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: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -387.019679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.019679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.019679 (E_RNA)
where:
Base-Base interactions energy: -252.103
where: short stacking energy: -132.883
Base-Backbone interact. energy: -0.153
local terms energy: -134.763266
where:
bonds (distance) C4'-P energy: -25.505
bonds (distance) P-C4' energy: -27.347
flat angles C4'-P-C4' energy: -28.560
flat angles P-C4'-P energy: -21.146
tors. eta vs tors. theta energy: -32.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -341.608277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.608277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.608277 (E_RNA)
where:
Base-Base interactions energy: -209.889
where: short stacking energy: -109.784
Base-Backbone interact. energy: -0.925
local terms energy: -130.795142
where:
bonds (distance) C4'-P energy: -23.482
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -29.934
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -30.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -301.854468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.854468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.854468 (E_RNA)
where:
Base-Base interactions energy: -186.942
where: short stacking energy: -105.991
Base-Backbone interact. energy: -0.234
local terms energy: -114.678722
where:
bonds (distance) C4'-P energy: -23.801
bonds (distance) P-C4' energy: -26.776
flat angles C4'-P-C4' energy: -23.387
flat angles P-C4'-P energy: -18.089
tors. eta vs tors. theta energy: -22.626
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: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -278.468869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.468869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.468869 (E_RNA)
where:
Base-Base interactions energy: -182.490
where: short stacking energy: -98.041
Base-Backbone interact. energy: -0.625
local terms energy: -95.354542
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -20.637
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: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -239.895595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.895595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.895595 (E_RNA)
where:
Base-Base interactions energy: -143.590
where: short stacking energy: -71.507
Base-Backbone interact. energy: -1.317
local terms energy: -94.988379
where:
bonds (distance) C4'-P energy: -22.223
bonds (distance) P-C4' energy: -23.808
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -9.918
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: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -234.183343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.183343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.183343 (E_RNA)
where:
Base-Base interactions energy: -125.903
where: short stacking energy: -76.842
Base-Backbone interact. energy: 0.112
local terms energy: -108.391653
where:
bonds (distance) C4'-P energy: -23.604
bonds (distance) P-C4' energy: -24.564
flat angles C4'-P-C4' energy: -25.052
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -132.537424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.537424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.537424 (E_RNA)
where:
Base-Base interactions energy: -48.424
where: short stacking energy: -48.424
Base-Backbone interact. energy: -0.395
local terms energy: -83.718454
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -25.159
flat angles P-C4'-P energy: -17.470
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -132.429299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.429299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.429299 (E_RNA)
where:
Base-Base interactions energy: -39.430
where: short stacking energy: -39.430
Base-Backbone interact. energy: 0.090
local terms energy: -93.089142
where:
bonds (distance) C4'-P energy: -28.579
bonds (distance) P-C4' energy: -25.201
flat angles C4'-P-C4' energy: -25.016
flat angles P-C4'-P energy: -10.238
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -429.899191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.899191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.899191 (E_RNA)
where:
Base-Base interactions energy: -294.033
where: short stacking energy: -144.964
Base-Backbone interact. energy: -1.133
local terms energy: -134.732837
where:
bonds (distance) C4'-P energy: -24.910
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -40.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -412.591558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.591558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.591558 (E_RNA)
where:
Base-Base interactions energy: -275.713
where: short stacking energy: -144.306
Base-Backbone interact. energy: -0.019
local terms energy: -136.859737
where:
bonds (distance) C4'-P energy: -21.821
bonds (distance) P-C4' energy: -25.848
flat angles C4'-P-C4' energy: -29.885
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -40.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -381.276830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.276830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.276830 (E_RNA)
where:
Base-Base interactions energy: -248.497
where: short stacking energy: -120.885
Base-Backbone interact. energy: -0.660
local terms energy: -132.119808
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -27.352
flat angles C4'-P-C4' energy: -26.590
flat angles P-C4'-P energy: -21.249
tors. eta vs tors. theta energy: -37.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -293.300215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.300215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.300215 (E_RNA)
where:
Base-Base interactions energy: -171.197
where: short stacking energy: -98.323
Base-Backbone interact. energy: -4.073
local terms energy: -118.030632
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -26.985
flat angles C4'-P-C4' energy: -22.963
flat angles P-C4'-P energy: -20.020
tors. eta vs tors. theta energy: -28.802
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: 5, replica: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -295.802153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.802153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.802153 (E_RNA)
where:
Base-Base interactions energy: -184.051
where: short stacking energy: -98.607
Base-Backbone interact. energy: -0.073
local terms energy: -111.677769
where:
bonds (distance) C4'-P energy: -28.196
bonds (distance) P-C4' energy: -24.820
flat angles C4'-P-C4' energy: -23.362
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -19.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -267.239004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.239004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.239004 (E_RNA)
where:
Base-Base interactions energy: -156.926
where: short stacking energy: -87.149
Base-Backbone interact. energy: -0.505
local terms energy: -109.808307
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -29.053
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -20.953
tors. eta vs tors. theta energy: -21.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -260.153794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.153794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.153794 (E_RNA)
where:
Base-Base interactions energy: -155.519
where: short stacking energy: -104.243
Base-Backbone interact. energy: -0.032
local terms energy: -104.603052
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -22.251
flat angles C4'-P-C4' energy: -25.049
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -33.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -236.748112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.748112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.748112 (E_RNA)
where:
Base-Base interactions energy: -141.587
where: short stacking energy: -71.079
Base-Backbone interact. energy: -0.069
local terms energy: -95.091789
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -21.622
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -134.470218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.470218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.470218 (E_RNA)
where:
Base-Base interactions energy: -52.067
where: short stacking energy: -52.067
Base-Backbone interact. energy: -0.044
local terms energy: -82.359861
where:
bonds (distance) C4'-P energy: -26.830
bonds (distance) P-C4' energy: -31.086
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -128.988501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.988501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.988501 (E_RNA)
where:
Base-Base interactions energy: -50.121
where: short stacking energy: -45.863
Base-Backbone interact. energy: -0.963
local terms energy: -77.904634
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -21.413
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -19.250
tors. eta vs tors. theta energy: -6.774
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -420.685436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.685436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.685436 (E_RNA)
where:
Base-Base interactions energy: -274.952
where: short stacking energy: -141.591
Base-Backbone interact. energy: -0.405
local terms energy: -145.328392
where:
bonds (distance) C4'-P energy: -27.563
bonds (distance) P-C4' energy: -29.653
flat angles C4'-P-C4' energy: -29.075
flat angles P-C4'-P energy: -19.191
tors. eta vs tors. theta energy: -39.846
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: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -409.798572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.798572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.798572 (E_RNA)
where:
Base-Base interactions energy: -267.825
where: short stacking energy: -140.599
Base-Backbone interact. energy: -1.583
local terms energy: -140.391057
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -29.227
flat angles C4'-P-C4' energy: -27.178
flat angles P-C4'-P energy: -23.007
tors. eta vs tors. theta energy: -39.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -381.319062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.319062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.319062 (E_RNA)
where:
Base-Base interactions energy: -248.857
where: short stacking energy: -122.641
Base-Backbone interact. energy: -2.287
local terms energy: -130.175175
where:
bonds (distance) C4'-P energy: -23.921
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -27.072
flat angles P-C4'-P energy: -16.962
tors. eta vs tors. theta energy: -40.775
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: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -304.802406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.802406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.802406 (E_RNA)
where:
Base-Base interactions energy: -184.710
where: short stacking energy: -98.776
Base-Backbone interact. energy: -0.236
local terms energy: -119.856322
where:
bonds (distance) C4'-P energy: -26.800
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -27.269
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -26.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -272.255699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.255699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.255699 (E_RNA)
where:
Base-Base interactions energy: -162.572
where: short stacking energy: -98.365
Base-Backbone interact. energy: -0.764
local terms energy: -108.918763
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -26.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -263.181284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.181284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.181284 (E_RNA)
where:
Base-Base interactions energy: -157.989
where: short stacking energy: -86.196
Base-Backbone interact. energy: -1.278
local terms energy: -103.914344
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -25.041
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -16.919
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: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -235.925053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.925053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.925053 (E_RNA)
where:
Base-Base interactions energy: -134.507
where: short stacking energy: -80.656
Base-Backbone interact. energy: -0.318
local terms energy: -101.100390
where:
bonds (distance) C4'-P energy: -21.860
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -26.356
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -14.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -235.164800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.164800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.164800 (E_RNA)
where:
Base-Base interactions energy: -139.035
where: short stacking energy: -77.380
Base-Backbone interact. energy: -0.276
local terms energy: -95.853016
where:
bonds (distance) C4'-P energy: -26.542
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -14.181
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: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -124.033571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.033571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.033571 (E_RNA)
where:
Base-Base interactions energy: -49.001
where: short stacking energy: -48.606
Base-Backbone interact. energy: -0.795
local terms energy: -74.238200
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -22.103
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -136.020680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.020680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.020680 (E_RNA)
where:
Base-Base interactions energy: -55.064
where: short stacking energy: -47.803
Base-Backbone interact. energy: -0.240
local terms energy: -80.717367
where:
bonds (distance) C4'-P energy: -21.780
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -23.224
flat angles P-C4'-P energy: -11.241
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -429.164969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.164969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.164969 (E_RNA)
where:
Base-Base interactions energy: -285.077
where: short stacking energy: -146.042
Base-Backbone interact. energy: -0.004
local terms energy: -144.084118
where:
bonds (distance) C4'-P energy: -24.904
bonds (distance) P-C4' energy: -28.389
flat angles C4'-P-C4' energy: -26.200
flat angles P-C4'-P energy: -23.681
tors. eta vs tors. theta energy: -40.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -410.497106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.497106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.497106 (E_RNA)
where:
Base-Base interactions energy: -277.750
where: short stacking energy: -128.994
Base-Backbone interact. energy: -0.046
local terms energy: -132.701595
where:
bonds (distance) C4'-P energy: -21.920
bonds (distance) P-C4' energy: -25.171
flat angles C4'-P-C4' energy: -28.302
flat angles P-C4'-P energy: -21.536
tors. eta vs tors. theta energy: -35.772
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: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -369.101057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.101057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.101057 (E_RNA)
where:
Base-Base interactions energy: -242.148
where: short stacking energy: -117.370
Base-Backbone interact. energy: -0.547
local terms energy: -126.405074
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -27.542
flat angles C4'-P-C4' energy: -27.232
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -36.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -341.266916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.266916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.266916 (E_RNA)
where:
Base-Base interactions energy: -215.477
where: short stacking energy: -119.711
Base-Backbone interact. energy: -0.047
local terms energy: -125.743198
where:
bonds (distance) C4'-P energy: -27.547
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -28.807
flat angles P-C4'-P energy: -19.721
tors. eta vs tors. theta energy: -27.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -286.777173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.777173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.777173 (E_RNA)
where:
Base-Base interactions energy: -173.535
where: short stacking energy: -100.262
Base-Backbone interact. energy: 0.073
local terms energy: -113.315633
where:
bonds (distance) C4'-P energy: -25.629
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -26.292
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -24.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -271.386007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.386007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.386007 (E_RNA)
where:
Base-Base interactions energy: -169.282
where: short stacking energy: -92.002
Base-Backbone interact. energy: -0.395
local terms energy: -101.709483
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -27.945
flat angles C4'-P-C4' energy: -25.877
flat angles P-C4'-P energy: -14.951
tors. eta vs tors. theta energy: -14.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -234.644992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.644992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.644992 (E_RNA)
where:
Base-Base interactions energy: -137.227
where: short stacking energy: -77.303
Base-Backbone interact. energy: -1.666
local terms energy: -95.752000
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -27.348
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -230.932473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.932473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.932473 (E_RNA)
where:
Base-Base interactions energy: -137.302
where: short stacking energy: -76.586
Base-Backbone interact. energy: -0.240
local terms energy: -93.390948
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -24.755
flat angles C4'-P-C4' energy: -22.701
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -17.275
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: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -134.737671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.737671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.737671 (E_RNA)
where:
Base-Base interactions energy: -50.712
where: short stacking energy: -40.888
Base-Backbone interact. energy: -0.273
local terms energy: -83.752312
where:
bonds (distance) C4'-P energy: -26.550
bonds (distance) P-C4' energy: -24.550
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -14.205
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: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -134.689295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.689295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.689295 (E_RNA)
where:
Base-Base interactions energy: -54.065
where: short stacking energy: -42.519
Base-Backbone interact. energy: 1.142
local terms energy: -81.766626
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -14.554
tors. eta vs tors. theta energy: -2.956
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -434.166349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.166349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.166349 (E_RNA)
where:
Base-Base interactions energy: -294.681
where: short stacking energy: -142.575
Base-Backbone interact. energy: -0.003
local terms energy: -139.482772
where:
bonds (distance) C4'-P energy: -29.058
bonds (distance) P-C4' energy: -21.663
flat angles C4'-P-C4' energy: -29.331
flat angles P-C4'-P energy: -18.990
tors. eta vs tors. theta energy: -40.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -393.076721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.076721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.076721 (E_RNA)
where:
Base-Base interactions energy: -255.044
where: short stacking energy: -124.612
Base-Backbone interact. energy: -0.230
local terms energy: -137.802400
where:
bonds (distance) C4'-P energy: -24.405
bonds (distance) P-C4' energy: -28.375
flat angles C4'-P-C4' energy: -30.424
flat angles P-C4'-P energy: -20.363
tors. eta vs tors. theta energy: -34.235
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: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -390.974591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.974591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.974591 (E_RNA)
where:
Base-Base interactions energy: -265.097
where: short stacking energy: -126.299
Base-Backbone interact. energy: -0.648
local terms energy: -125.229180
where:
bonds (distance) C4'-P energy: -27.771
bonds (distance) P-C4' energy: -24.762
flat angles C4'-P-C4' energy: -26.398
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -30.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -344.791302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.791302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.791302 (E_RNA)
where:
Base-Base interactions energy: -222.917
where: short stacking energy: -123.603
Base-Backbone interact. energy: -0.029
local terms energy: -121.845017
where:
bonds (distance) C4'-P energy: -27.142
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -24.941
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -31.536
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: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -282.654493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.654493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.654493 (E_RNA)
where:
Base-Base interactions energy: -171.307
where: short stacking energy: -92.770
Base-Backbone interact. energy: -0.146
local terms energy: -111.201196
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -28.787
flat angles C4'-P-C4' energy: -29.113
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -287.675314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.675314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.675314 (E_RNA)
where:
Base-Base interactions energy: -180.076
where: short stacking energy: -93.524
Base-Backbone interact. energy: -2.687
local terms energy: -104.912367
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -23.495
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: -17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -218.908547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.908547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.908547 (E_RNA)
where:
Base-Base interactions energy: -115.659
where: short stacking energy: -53.795
Base-Backbone interact. energy: -2.472
local terms energy: -100.777182
where:
bonds (distance) C4'-P energy: -26.700
bonds (distance) P-C4' energy: -25.888
flat angles C4'-P-C4' energy: -26.774
flat angles P-C4'-P energy: -16.134
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: 8, replica: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -251.086122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.086122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.086122 (E_RNA)
where:
Base-Base interactions energy: -147.504
where: short stacking energy: -88.487
Base-Backbone interact. energy: -3.784
local terms energy: -99.798521
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -26.762
flat angles P-C4'-P energy: -14.938
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: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -135.789180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.789180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.789180 (E_RNA)
where:
Base-Base interactions energy: -49.026
where: short stacking energy: -48.897
Base-Backbone interact. energy: -1.005
local terms energy: -85.757368
where:
bonds (distance) C4'-P energy: -25.168
bonds (distance) P-C4' energy: -27.188
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -4.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -117.554935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.554935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.554935 (E_RNA)
where:
Base-Base interactions energy: -43.313
where: short stacking energy: -43.313
Base-Backbone interact. energy: -0.061
local terms energy: -74.180349
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -4.379
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -428.156227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.156227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.156227 (E_RNA)
where:
Base-Base interactions energy: -284.049
where: short stacking energy: -145.302
Base-Backbone interact. energy: -2.098
local terms energy: -142.008835
where:
bonds (distance) C4'-P energy: -25.838
bonds (distance) P-C4' energy: -29.166
flat angles C4'-P-C4' energy: -29.921
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -40.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -390.205903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.205903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.205903 (E_RNA)
where:
Base-Base interactions energy: -257.462
where: short stacking energy: -133.709
Base-Backbone interact. energy: -1.364
local terms energy: -131.379555
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -30.948
flat angles P-C4'-P energy: -20.155
tors. eta vs tors. theta energy: -36.214
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: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -403.071467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.071467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.071467 (E_RNA)
where:
Base-Base interactions energy: -267.851
where: short stacking energy: -129.565
Base-Backbone interact. energy: -0.255
local terms energy: -134.966212
where:
bonds (distance) C4'-P energy: -25.258
bonds (distance) P-C4' energy: -25.586
flat angles C4'-P-C4' energy: -28.165
flat angles P-C4'-P energy: -16.727
tors. eta vs tors. theta energy: -39.231
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: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -351.424655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.424655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.424655 (E_RNA)
where:
Base-Base interactions energy: -223.812
where: short stacking energy: -128.638
Base-Backbone interact. energy: -0.078
local terms energy: -127.534412
where:
bonds (distance) C4'-P energy: -25.998
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -24.259
flat angles P-C4'-P energy: -17.030
tors. eta vs tors. theta energy: -36.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -288.469817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.469817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.469817 (E_RNA)
where:
Base-Base interactions energy: -180.147
where: short stacking energy: -102.192
Base-Backbone interact. energy: -0.185
local terms energy: -108.137618
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -29.245
flat angles C4'-P-C4' energy: -23.567
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -280.872531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.872531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.872531 (E_RNA)
where:
Base-Base interactions energy: -166.543
where: short stacking energy: -98.645
Base-Backbone interact. energy: -0.157
local terms energy: -114.172489
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -26.732
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -26.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -252.421767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.421767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.421767 (E_RNA)
where:
Base-Base interactions energy: -154.969
where: short stacking energy: -87.880
Base-Backbone interact. energy: -0.111
local terms energy: -97.341826
where:
bonds (distance) C4'-P energy: -24.786
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -28.780
flat angles P-C4'-P energy: -12.202
tors. eta vs tors. theta energy: -18.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -251.376612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.376612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.376612 (E_RNA)
where:
Base-Base interactions energy: -142.007
where: short stacking energy: -73.620
Base-Backbone interact. energy: -0.371
local terms energy: -108.998978
where:
bonds (distance) C4'-P energy: -24.496
bonds (distance) P-C4' energy: -24.767
flat angles C4'-P-C4' energy: -30.422
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -21.847
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: 384
Temperature: 1.300000
Total energy: -132.273952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.273952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.273952 (E_RNA)
where:
Base-Base interactions energy: -55.154
where: short stacking energy: -51.537
Base-Backbone interact. energy: -0.230
local terms energy: -76.889630
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -25.558
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: 1.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -122.089484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.089484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.089484 (E_RNA)
where:
Base-Base interactions energy: -45.887
where: short stacking energy: -45.836
Base-Backbone interact. energy: -0.858
local terms energy: -75.343933
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -3.270
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -421.797231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.797231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.797231 (E_RNA)
where:
Base-Base interactions energy: -279.716
where: short stacking energy: -133.409
Base-Backbone interact. energy: -0.868
local terms energy: -141.213467
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -28.195
flat angles C4'-P-C4' energy: -29.179
flat angles P-C4'-P energy: -22.173
tors. eta vs tors. theta energy: -39.983
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: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -392.448348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.448348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.448348 (E_RNA)
where:
Base-Base interactions energy: -266.113
where: short stacking energy: -126.419
Base-Backbone interact. energy: -0.162
local terms energy: -126.173474
where:
bonds (distance) C4'-P energy: -25.975
bonds (distance) P-C4' energy: -22.277
flat angles C4'-P-C4' energy: -29.807
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -29.273
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: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -394.311760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.311760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.311760 (E_RNA)
where:
Base-Base interactions energy: -256.783
where: short stacking energy: -133.582
Base-Backbone interact. energy: -2.192
local terms energy: -135.337207
where:
bonds (distance) C4'-P energy: -24.311
bonds (distance) P-C4' energy: -29.401
flat angles C4'-P-C4' energy: -28.354
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -39.039
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: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -345.644889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.644889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.644889 (E_RNA)
where:
Base-Base interactions energy: -219.094
where: short stacking energy: -121.790
Base-Backbone interact. energy: -0.056
local terms energy: -126.494705
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -28.329
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -35.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -288.529632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.529632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.529632 (E_RNA)
where:
Base-Base interactions energy: -175.926
where: short stacking energy: -103.909
Base-Backbone interact. energy: -0.093
local terms energy: -112.510633
where:
bonds (distance) C4'-P energy: -24.771
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -30.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -273.871446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.871446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.871446 (E_RNA)
where:
Base-Base interactions energy: -160.990
where: short stacking energy: -81.991
Base-Backbone interact. energy: -0.904
local terms energy: -111.977266
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -24.414
flat angles C4'-P-C4' energy: -28.673
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -207.685695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.685695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.685695 (E_RNA)
where:
Base-Base interactions energy: -127.850
where: short stacking energy: -75.235
Base-Backbone interact. energy: -0.042
local terms energy: -79.793737
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -24.920
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -248.323809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.323809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.323809 (E_RNA)
where:
Base-Base interactions energy: -143.427
where: short stacking energy: -73.117
Base-Backbone interact. energy: -0.263
local terms energy: -104.633420
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -27.075
flat angles C4'-P-C4' energy: -25.218
flat angles P-C4'-P energy: -18.763
tors. eta vs tors. theta energy: -13.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -140.268666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.268666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.268666 (E_RNA)
where:
Base-Base interactions energy: -45.288
where: short stacking energy: -40.900
Base-Backbone interact. energy: 0.555
local terms energy: -95.535948
where:
bonds (distance) C4'-P energy: -28.164
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -26.586
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -138.220016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.220016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.220016 (E_RNA)
where:
Base-Base interactions energy: -58.312
where: short stacking energy: -52.680
Base-Backbone interact. energy: -0.056
local terms energy: -79.851753
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -27.589
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -8.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -418.566754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.566754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.566754 (E_RNA)
where:
Base-Base interactions energy: -278.119
where: short stacking energy: -140.865
Base-Backbone interact. energy: -0.256
local terms energy: -140.191979
where:
bonds (distance) C4'-P energy: -25.545
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -31.906
flat angles P-C4'-P energy: -20.082
tors. eta vs tors. theta energy: -38.886
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: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -402.439656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.439656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.439656 (E_RNA)
where:
Base-Base interactions energy: -269.700
where: short stacking energy: -123.665
Base-Backbone interact. energy: -0.305
local terms energy: -132.434886
where:
bonds (distance) C4'-P energy: -26.894
bonds (distance) P-C4' energy: -23.885
flat angles C4'-P-C4' energy: -28.240
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -36.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -382.262403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.262403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.262403 (E_RNA)
where:
Base-Base interactions energy: -256.099
where: short stacking energy: -127.905
Base-Backbone interact. energy: -0.978
local terms energy: -125.185970
where:
bonds (distance) C4'-P energy: -26.799
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -29.502
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -35.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -325.935023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.935023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.935023 (E_RNA)
where:
Base-Base interactions energy: -197.046
where: short stacking energy: -105.745
Base-Backbone interact. energy: -0.828
local terms energy: -128.061803
where:
bonds (distance) C4'-P energy: -23.034
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -30.058
flat angles P-C4'-P energy: -22.825
tors. eta vs tors. theta energy: -30.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -289.308593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.308593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.308593 (E_RNA)
where:
Base-Base interactions energy: -171.036
where: short stacking energy: -104.722
Base-Backbone interact. energy: -0.117
local terms energy: -118.155720
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -30.433
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: -24.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -277.933562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.933562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.933562 (E_RNA)
where:
Base-Base interactions energy: -177.282
where: short stacking energy: -105.830
Base-Backbone interact. energy: -0.213
local terms energy: -100.438634
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -23.217
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -23.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -238.256195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.256195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.256195 (E_RNA)
where:
Base-Base interactions energy: -140.228
where: short stacking energy: -82.264
Base-Backbone interact. energy: -0.098
local terms energy: -97.930684
where:
bonds (distance) C4'-P energy: -22.418
bonds (distance) P-C4' energy: -24.736
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -24.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -206.936988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.936988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.936988 (E_RNA)
where:
Base-Base interactions energy: -113.196
where: short stacking energy: -55.416
Base-Backbone interact. energy: -0.904
local terms energy: -92.836658
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -25.397
flat angles C4'-P-C4' energy: -24.761
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -135.440666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.440666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.440666 (E_RNA)
where:
Base-Base interactions energy: -44.557
where: short stacking energy: -44.557
Base-Backbone interact. energy: -0.063
local terms energy: -90.820488
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -27.529
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -138.749875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.749875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.749875 (E_RNA)
where:
Base-Base interactions energy: -63.735
where: short stacking energy: -58.118
Base-Backbone interact. energy: -0.554
local terms energy: -74.461601
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -28.381
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -6.233
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -428.506465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.506465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.506465 (E_RNA)
where:
Base-Base interactions energy: -289.337
where: short stacking energy: -138.882
Base-Backbone interact. energy: -0.058
local terms energy: -139.112049
where:
bonds (distance) C4'-P energy: -23.743
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -31.832
flat angles P-C4'-P energy: -23.819
tors. eta vs tors. theta energy: -38.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -404.170803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.170803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.170803 (E_RNA)
where:
Base-Base interactions energy: -266.428
where: short stacking energy: -112.731
Base-Backbone interact. energy: -0.887
local terms energy: -136.856096
where:
bonds (distance) C4'-P energy: -28.233
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -30.211
flat angles P-C4'-P energy: -18.930
tors. eta vs tors. theta energy: -36.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -385.064964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.064964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.064964 (E_RNA)
where:
Base-Base interactions energy: -258.794
where: short stacking energy: -132.913
Base-Backbone interact. energy: -0.247
local terms energy: -126.024733
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -30.799
flat angles C4'-P-C4' energy: -27.025
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -34.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -281.538807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.538807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.538807 (E_RNA)
where:
Base-Base interactions energy: -161.494
where: short stacking energy: -91.214
Base-Backbone interact. energy: -0.372
local terms energy: -119.672962
where:
bonds (distance) C4'-P energy: -24.170
bonds (distance) P-C4' energy: -23.337
flat angles C4'-P-C4' energy: -28.115
flat angles P-C4'-P energy: -21.906
tors. eta vs tors. theta energy: -22.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -314.055519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.055519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.055519 (E_RNA)
where:
Base-Base interactions energy: -194.783
where: short stacking energy: -96.578
Base-Backbone interact. energy: -0.404
local terms energy: -118.868494
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -25.858
flat angles P-C4'-P energy: -18.728
tors. eta vs tors. theta energy: -30.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -279.309509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.309509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.309509 (E_RNA)
where:
Base-Base interactions energy: -172.366
where: short stacking energy: -94.553
Base-Backbone interact. energy: -0.392
local terms energy: -106.551918
where:
bonds (distance) C4'-P energy: -18.891
bonds (distance) P-C4' energy: -28.745
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -21.838
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: 7, replica: 5
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -238.734767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.734767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.734767 (E_RNA)
where:
Base-Base interactions energy: -139.583
where: short stacking energy: -77.427
Base-Backbone interact. energy: -0.297
local terms energy: -98.854701
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -28.824
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -15.534
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: 8, replica: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -226.250961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.250961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.250961 (E_RNA)
where:
Base-Base interactions energy: -122.147
where: short stacking energy: -67.182
Base-Backbone interact. energy: -0.506
local terms energy: -103.597984
where:
bonds (distance) C4'-P energy: -23.201
bonds (distance) P-C4' energy: -27.965
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -166.654519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.654519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.654519 (E_RNA)
where:
Base-Base interactions energy: -68.232
where: short stacking energy: -65.197
Base-Backbone interact. energy: -0.438
local terms energy: -97.984093
where:
bonds (distance) C4'-P energy: -22.905
bonds (distance) P-C4' energy: -26.056
flat angles C4'-P-C4' energy: -25.314
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -11.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -120.735331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.735331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.735331 (E_RNA)
where:
Base-Base interactions energy: -48.420
where: short stacking energy: -44.819
Base-Backbone interact. energy: -0.618
local terms energy: -71.696917
where:
bonds (distance) C4'-P energy: -25.914
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -17.227
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -428.937596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.937596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.937596 (E_RNA)
where:
Base-Base interactions energy: -283.903
where: short stacking energy: -143.948
Base-Backbone interact. energy: -0.004
local terms energy: -145.030807
where:
bonds (distance) C4'-P energy: -30.181
bonds (distance) P-C4' energy: -25.818
flat angles C4'-P-C4' energy: -29.128
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: -42.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -395.098969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.098969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.098969 (E_RNA)
where:
Base-Base interactions energy: -256.507
where: short stacking energy: -120.170
Base-Backbone interact. energy: -0.203
local terms energy: -138.389410
where:
bonds (distance) C4'-P energy: -27.663
bonds (distance) P-C4' energy: -27.555
flat angles C4'-P-C4' energy: -28.002
flat angles P-C4'-P energy: -20.986
tors. eta vs tors. theta energy: -34.183
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: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -300.115802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.115802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.115802 (E_RNA)
where:
Base-Base interactions energy: -184.453
where: short stacking energy: -102.142
Base-Backbone interact. energy: 0.049
local terms energy: -115.711991
where:
bonds (distance) C4'-P energy: -24.568
bonds (distance) P-C4' energy: -21.407
flat angles C4'-P-C4' energy: -30.036
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -22.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -381.487585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.487585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.487585 (E_RNA)
where:
Base-Base interactions energy: -257.059
where: short stacking energy: -126.344
Base-Backbone interact. energy: -0.090
local terms energy: -124.338485
where:
bonds (distance) C4'-P energy: -24.744
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -28.430
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: -33.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -307.885893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.885893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.885893 (E_RNA)
where:
Base-Base interactions energy: -188.709
where: short stacking energy: -112.502
Base-Backbone interact. energy: -0.222
local terms energy: -118.954695
where:
bonds (distance) C4'-P energy: -24.489
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -29.795
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -24.063
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: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -309.400423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.400423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.400423 (E_RNA)
where:
Base-Base interactions energy: -190.385
where: short stacking energy: -112.845
Base-Backbone interact. energy: 0.103
local terms energy: -119.118190
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -26.326
flat angles C4'-P-C4' energy: -25.694
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: -29.439
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: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -235.403459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.403459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.403459 (E_RNA)
where:
Base-Base interactions energy: -131.803
where: short stacking energy: -90.234
Base-Backbone interact. energy: -1.138
local terms energy: -102.461798
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -26.503
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -19.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -211.727146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.727146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.727146 (E_RNA)
where:
Base-Base interactions energy: -103.474
where: short stacking energy: -55.473
Base-Backbone interact. energy: -0.462
local terms energy: -107.791341
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -27.244
flat angles C4'-P-C4' energy: -25.140
flat angles P-C4'-P energy: -18.055
tors. eta vs tors. theta energy: -10.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -131.935613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.935613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.935613 (E_RNA)
where:
Base-Base interactions energy: -62.200
where: short stacking energy: -51.788
Base-Backbone interact. energy: -0.468
local terms energy: -69.267876
where:
bonds (distance) C4'-P energy: -21.839
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -12.983
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: 10, replica: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -131.477633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.477633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.477633 (E_RNA)
where:
Base-Base interactions energy: -48.155
where: short stacking energy: -46.503
Base-Backbone interact. energy: 0.776
local terms energy: -84.098363
where:
bonds (distance) C4'-P energy: -23.214
bonds (distance) P-C4' energy: -23.836
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -426.149178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.149178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.149178 (E_RNA)
where:
Base-Base interactions energy: -284.827
where: short stacking energy: -145.381
Base-Backbone interact. energy: -0.787
local terms energy: -140.534766
where:
bonds (distance) C4'-P energy: -25.765
bonds (distance) P-C4' energy: -29.285
flat angles C4'-P-C4' energy: -29.010
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -41.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -384.605736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.605736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.605736 (E_RNA)
where:
Base-Base interactions energy: -250.253
where: short stacking energy: -121.323
Base-Backbone interact. energy: -0.089
local terms energy: -134.263839
where:
bonds (distance) C4'-P energy: -24.413
bonds (distance) P-C4' energy: -21.326
flat angles C4'-P-C4' energy: -28.640
flat angles P-C4'-P energy: -23.053
tors. eta vs tors. theta energy: -36.831
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: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -325.233853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.233853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.233853 (E_RNA)
where:
Base-Base interactions energy: -197.131
where: short stacking energy: -118.997
Base-Backbone interact. energy: -0.385
local terms energy: -127.716904
where:
bonds (distance) C4'-P energy: -28.422
bonds (distance) P-C4' energy: -27.530
flat angles C4'-P-C4' energy: -24.059
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -29.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -377.273631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.273631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.273631 (E_RNA)
where:
Base-Base interactions energy: -249.948
where: short stacking energy: -120.231
Base-Backbone interact. energy: -1.160
local terms energy: -126.165772
where:
bonds (distance) C4'-P energy: -22.540
bonds (distance) P-C4' energy: -26.740
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -32.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -309.535685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.535685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.535685 (E_RNA)
where:
Base-Base interactions energy: -189.817
where: short stacking energy: -100.424
Base-Backbone interact. energy: 0.690
local terms energy: -120.409030
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -21.116
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -31.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -307.377570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.377570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.377570 (E_RNA)
where:
Base-Base interactions energy: -196.868
where: short stacking energy: -100.882
Base-Backbone interact. energy: -1.120
local terms energy: -109.389200
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -21.902
flat angles C4'-P-C4' energy: -23.585
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -27.641
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: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -227.644243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.644243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.644243 (E_RNA)
where:
Base-Base interactions energy: -126.642
where: short stacking energy: -64.853
Base-Backbone interact. energy: -0.435
local terms energy: -100.567974
where:
bonds (distance) C4'-P energy: -22.820
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -28.652
flat angles P-C4'-P energy: -17.681
tors. eta vs tors. theta energy: -13.122
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: 7
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -224.211038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.211038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.211038 (E_RNA)
where:
Base-Base interactions energy: -145.115
where: short stacking energy: -76.020
Base-Backbone interact. energy: 0.645
local terms energy: -79.741043
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -141.761594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.761594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.761594 (E_RNA)
where:
Base-Base interactions energy: -44.732
where: short stacking energy: -37.525
Base-Backbone interact. energy: -0.143
local terms energy: -96.886424
where:
bonds (distance) C4'-P energy: -22.298
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -23.050
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -7.169
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: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -114.508450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.508450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.508450 (E_RNA)
where:
Base-Base interactions energy: -40.184
where: short stacking energy: -31.037
Base-Backbone interact. energy: -0.395
local terms energy: -73.930157
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -15.410
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -432.616929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.616929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.616929 (E_RNA)
where:
Base-Base interactions energy: -284.781
where: short stacking energy: -137.813
Base-Backbone interact. energy: -0.240
local terms energy: -147.595947
where:
bonds (distance) C4'-P energy: -28.736
bonds (distance) P-C4' energy: -29.075
flat angles C4'-P-C4' energy: -28.409
flat angles P-C4'-P energy: -18.983
tors. eta vs tors. theta energy: -42.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -392.017825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.017825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.017825 (E_RNA)
where:
Base-Base interactions energy: -267.835
where: short stacking energy: -132.136
Base-Backbone interact. energy: -0.936
local terms energy: -123.246587
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -22.593
flat angles C4'-P-C4' energy: -26.651
flat angles P-C4'-P energy: -18.197
tors. eta vs tors. theta energy: -37.262
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: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -345.350641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.350641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.350641 (E_RNA)
where:
Base-Base interactions energy: -215.513
where: short stacking energy: -115.110
Base-Backbone interact. energy: -0.169
local terms energy: -129.669062
where:
bonds (distance) C4'-P energy: -22.937
bonds (distance) P-C4' energy: -26.154
flat angles C4'-P-C4' energy: -28.270
flat angles P-C4'-P energy: -17.355
tors. eta vs tors. theta energy: -34.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -305.176661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.176661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.176661 (E_RNA)
where:
Base-Base interactions energy: -176.580
where: short stacking energy: -104.411
Base-Backbone interact. energy: -0.641
local terms energy: -127.955647
where:
bonds (distance) C4'-P energy: -27.511
bonds (distance) P-C4' energy: -22.581
flat angles C4'-P-C4' energy: -26.334
flat angles P-C4'-P energy: -21.772
tors. eta vs tors. theta energy: -29.758
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: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -308.919857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.919857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.919857 (E_RNA)
where:
Base-Base interactions energy: -195.586
where: short stacking energy: -105.405
Base-Backbone interact. energy: -1.288
local terms energy: -112.045915
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -22.981
flat angles C4'-P-C4' energy: -27.155
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: -27.934
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: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -291.463423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.463423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.463423 (E_RNA)
where:
Base-Base interactions energy: -171.584
where: short stacking energy: -85.381
Base-Backbone interact. energy: -1.568
local terms energy: -118.311281
where:
bonds (distance) C4'-P energy: -27.073
bonds (distance) P-C4' energy: -26.059
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -25.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -210.954697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.954697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.954697 (E_RNA)
where:
Base-Base interactions energy: -126.797
where: short stacking energy: -82.249
Base-Backbone interact. energy: -0.493
local terms energy: -83.664437
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -23.262
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -224.801281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.801281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.801281 (E_RNA)
where:
Base-Base interactions energy: -136.183
where: short stacking energy: -76.226
Base-Backbone interact. energy: 0.309
local terms energy: -88.926646
where:
bonds (distance) C4'-P energy: -18.461
bonds (distance) P-C4' energy: -23.903
flat angles C4'-P-C4' energy: -22.981
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -138.040772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.040772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.040772 (E_RNA)
where:
Base-Base interactions energy: -65.116
where: short stacking energy: -55.046
Base-Backbone interact. energy: -0.590
local terms energy: -72.335264
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -4.273
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: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -151.397051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.397051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.397051 (E_RNA)
where:
Base-Base interactions energy: -74.317
where: short stacking energy: -29.656
Base-Backbone interact. energy: -2.215
local terms energy: -74.865287
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: 2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -433.066559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.066559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.066559 (E_RNA)
where:
Base-Base interactions energy: -289.364
where: short stacking energy: -142.614
Base-Backbone interact. energy: -0.001
local terms energy: -143.702201
where:
bonds (distance) C4'-P energy: -27.929
bonds (distance) P-C4' energy: -25.861
flat angles C4'-P-C4' energy: -29.418
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: -41.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -412.044615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.044615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.044615 (E_RNA)
where:
Base-Base interactions energy: -275.387
where: short stacking energy: -124.461
Base-Backbone interact. energy: -0.239
local terms energy: -136.418633
where:
bonds (distance) C4'-P energy: -24.539
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -28.655
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -36.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -354.549381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.549381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.549381 (E_RNA)
where:
Base-Base interactions energy: -236.111
where: short stacking energy: -133.889
Base-Backbone interact. energy: -0.106
local terms energy: -118.331838
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -25.946
flat angles C4'-P-C4' energy: -26.731
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -32.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -336.533141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.533141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.533141 (E_RNA)
where:
Base-Base interactions energy: -206.398
where: short stacking energy: -110.792
Base-Backbone interact. energy: -0.305
local terms energy: -129.829873
where:
bonds (distance) C4'-P energy: -26.941
bonds (distance) P-C4' energy: -25.783
flat angles C4'-P-C4' energy: -29.610
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -34.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -291.511500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.511500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.511500 (E_RNA)
where:
Base-Base interactions energy: -184.721
where: short stacking energy: -101.190
Base-Backbone interact. energy: -0.098
local terms energy: -106.692441
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -25.515
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -277.819364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.819364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.819364 (E_RNA)
where:
Base-Base interactions energy: -161.603
where: short stacking energy: -93.091
Base-Backbone interact. energy: -0.119
local terms energy: -116.097122
where:
bonds (distance) C4'-P energy: -23.751
bonds (distance) P-C4' energy: -24.335
flat angles C4'-P-C4' energy: -24.251
flat angles P-C4'-P energy: -17.773
tors. eta vs tors. theta energy: -25.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -216.817061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.817061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.817061 (E_RNA)
where:
Base-Base interactions energy: -119.374
where: short stacking energy: -73.442
Base-Backbone interact. energy: -0.539
local terms energy: -96.904306
where:
bonds (distance) C4'-P energy: -24.658
bonds (distance) P-C4' energy: -23.793
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -15.030
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: 8, replica: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -267.898103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.898103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.898103 (E_RNA)
where:
Base-Base interactions energy: -148.405
where: short stacking energy: -95.056
Base-Backbone interact. energy: -0.434
local terms energy: -119.058648
where:
bonds (distance) C4'-P energy: -22.255
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -26.300
flat angles P-C4'-P energy: -19.410
tors. eta vs tors. theta energy: -25.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -150.023776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.023776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.023776 (E_RNA)
where:
Base-Base interactions energy: -65.753
where: short stacking energy: -53.756
Base-Backbone interact. energy: -0.501
local terms energy: -83.769587
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -17.866
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -141.890509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.890509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.890509 (E_RNA)
where:
Base-Base interactions energy: -69.963
where: short stacking energy: -47.119
Base-Backbone interact. energy: 0.229
local terms energy: -72.156402
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -23.935
flat angles P-C4'-P energy: -12.001
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -418.527064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.527064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.527064 (E_RNA)
where:
Base-Base interactions energy: -291.715
where: short stacking energy: -135.841
Base-Backbone interact. energy: -0.734
local terms energy: -126.078622
where:
bonds (distance) C4'-P energy: -25.549
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -30.334
flat angles P-C4'-P energy: -18.085
tors. eta vs tors. theta energy: -33.606
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: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -418.294253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.294253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.294253 (E_RNA)
where:
Base-Base interactions energy: -275.540
where: short stacking energy: -132.027
Base-Backbone interact. energy: -0.735
local terms energy: -142.019491
where:
bonds (distance) C4'-P energy: -27.587
bonds (distance) P-C4' energy: -27.118
flat angles C4'-P-C4' energy: -29.057
flat angles P-C4'-P energy: -17.996
tors. eta vs tors. theta energy: -40.262
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: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -362.060263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.060263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.060263 (E_RNA)
where:
Base-Base interactions energy: -233.812
where: short stacking energy: -127.662
Base-Backbone interact. energy: -0.630
local terms energy: -127.618275
where:
bonds (distance) C4'-P energy: -23.921
bonds (distance) P-C4' energy: -27.051
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -36.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -332.432050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.432050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.432050 (E_RNA)
where:
Base-Base interactions energy: -210.849
where: short stacking energy: -114.120
Base-Backbone interact. energy: -0.864
local terms energy: -120.719327
where:
bonds (distance) C4'-P energy: -25.932
bonds (distance) P-C4' energy: -21.040
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -27.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -325.651158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.651158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.651158 (E_RNA)
where:
Base-Base interactions energy: -204.912
where: short stacking energy: -115.892
Base-Backbone interact. energy: -1.319
local terms energy: -119.420146
where:
bonds (distance) C4'-P energy: -18.309
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -27.568
flat angles P-C4'-P energy: -23.390
tors. eta vs tors. theta energy: -27.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -283.755225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.755225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.755225 (E_RNA)
where:
Base-Base interactions energy: -175.963
where: short stacking energy: -94.572
Base-Backbone interact. energy: -0.122
local terms energy: -107.670023
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -25.669
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -19.760
tors. eta vs tors. theta energy: -18.795
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: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -242.585864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.585864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.585864 (E_RNA)
where:
Base-Base interactions energy: -135.423
where: short stacking energy: -67.567
Base-Backbone interact. energy: -0.312
local terms energy: -106.850660
where:
bonds (distance) C4'-P energy: -27.800
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -26.601
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: -10.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -215.237875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.237875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.237875 (E_RNA)
where:
Base-Base interactions energy: -122.063
where: short stacking energy: -75.240
Base-Backbone interact. energy: 0.396
local terms energy: -93.570332
where:
bonds (distance) C4'-P energy: -22.882
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -13.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -147.260673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.260673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.260673 (E_RNA)
where:
Base-Base interactions energy: -74.904
where: short stacking energy: -55.571
Base-Backbone interact. energy: -0.707
local terms energy: -71.649530
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -6.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -151.551987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.551987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.551987 (E_RNA)
where:
Base-Base interactions energy: -60.775
where: short stacking energy: -39.215
Base-Backbone interact. energy: -0.549
local terms energy: -90.228440
where:
bonds (distance) C4'-P energy: -24.317
bonds (distance) P-C4' energy: -25.697
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -410.962837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.962837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.962837 (E_RNA)
where:
Base-Base interactions energy: -278.659
where: short stacking energy: -136.279
Base-Backbone interact. energy: -0.921
local terms energy: -131.382839
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -25.237
flat angles C4'-P-C4' energy: -25.234
flat angles P-C4'-P energy: -21.765
tors. eta vs tors. theta energy: -38.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -424.603507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.603507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.603507 (E_RNA)
where:
Base-Base interactions energy: -277.706
where: short stacking energy: -146.443
Base-Backbone interact. energy: -0.848
local terms energy: -146.049630
where:
bonds (distance) C4'-P energy: -29.767
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -28.857
flat angles P-C4'-P energy: -19.700
tors. eta vs tors. theta energy: -41.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -342.766295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.766295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.766295 (E_RNA)
where:
Base-Base interactions energy: -222.547
where: short stacking energy: -132.540
Base-Backbone interact. energy: -0.877
local terms energy: -119.342442
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -25.832
flat angles C4'-P-C4' energy: -24.300
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -34.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -315.658281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.658281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.658281 (E_RNA)
where:
Base-Base interactions energy: -190.686
where: short stacking energy: -106.626
Base-Backbone interact. energy: 0.091
local terms energy: -125.063244
where:
bonds (distance) C4'-P energy: -26.882
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -27.498
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -31.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -315.565618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.565618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.565618 (E_RNA)
where:
Base-Base interactions energy: -197.388
where: short stacking energy: -101.824
Base-Backbone interact. energy: -0.078
local terms energy: -118.100003
where:
bonds (distance) C4'-P energy: -25.558
bonds (distance) P-C4' energy: -20.071
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -33.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -285.812952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.812952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.812952 (E_RNA)
where:
Base-Base interactions energy: -166.115
where: short stacking energy: -97.504
Base-Backbone interact. energy: -1.393
local terms energy: -118.304910
where:
bonds (distance) C4'-P energy: -23.752
bonds (distance) P-C4' energy: -26.499
flat angles C4'-P-C4' energy: -25.036
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -25.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -239.560885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.560885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.560885 (E_RNA)
where:
Base-Base interactions energy: -146.661
where: short stacking energy: -77.015
Base-Backbone interact. energy: -0.382
local terms energy: -92.518686
where:
bonds (distance) C4'-P energy: -24.187
bonds (distance) P-C4' energy: -22.311
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -10.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -203.001331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.001331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.001331 (E_RNA)
where:
Base-Base interactions energy: -109.993
where: short stacking energy: -69.800
Base-Backbone interact. energy: -0.353
local terms energy: -92.655370
where:
bonds (distance) C4'-P energy: -24.717
bonds (distance) P-C4' energy: -23.735
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -11.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -141.537726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.537726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.537726 (E_RNA)
where:
Base-Base interactions energy: -48.801
where: short stacking energy: -48.801
Base-Backbone interact. energy: -0.178
local terms energy: -92.557983
where:
bonds (distance) C4'-P energy: -25.089
bonds (distance) P-C4' energy: -24.629
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -8.198
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: 10, replica: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -127.534789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.534789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.534789 (E_RNA)
where:
Base-Base interactions energy: -51.796
where: short stacking energy: -39.155
Base-Backbone interact. energy: -0.115
local terms energy: -75.623335
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -22.140
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -14.326
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -405.139023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.139023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.139023 (E_RNA)
where:
Base-Base interactions energy: -270.473
where: short stacking energy: -128.762
Base-Backbone interact. energy: -0.908
local terms energy: -133.758818
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -28.664
flat angles C4'-P-C4' energy: -25.290
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: -38.226
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: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -417.604092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.604092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.604092 (E_RNA)
where:
Base-Base interactions energy: -269.814
where: short stacking energy: -143.985
Base-Backbone interact. energy: 0.732
local terms energy: -148.522072
where:
bonds (distance) C4'-P energy: -29.200
bonds (distance) P-C4' energy: -24.614
flat angles C4'-P-C4' energy: -28.026
flat angles P-C4'-P energy: -23.962
tors. eta vs tors. theta energy: -42.720
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: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -336.364065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.364065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.364065 (E_RNA)
where:
Base-Base interactions energy: -209.942
where: short stacking energy: -116.205
Base-Backbone interact. energy: 0.326
local terms energy: -126.748476
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -28.604
flat angles C4'-P-C4' energy: -28.165
flat angles P-C4'-P energy: -19.141
tors. eta vs tors. theta energy: -32.345
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: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -298.668306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.668306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.668306 (E_RNA)
where:
Base-Base interactions energy: -178.759
where: short stacking energy: -101.143
Base-Backbone interact. energy: -0.381
local terms energy: -119.528173
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -26.712
flat angles C4'-P-C4' energy: -25.082
flat angles P-C4'-P energy: -18.626
tors. eta vs tors. theta energy: -24.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -291.058516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.058516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.058516 (E_RNA)
where:
Base-Base interactions energy: -175.777
where: short stacking energy: -86.578
Base-Backbone interact. energy: -1.091
local terms energy: -114.189841
where:
bonds (distance) C4'-P energy: -28.193
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -25.882
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -22.092
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: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -313.519750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.519750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.519750 (E_RNA)
where:
Base-Base interactions energy: -205.695
where: short stacking energy: -109.258
Base-Backbone interact. energy: -0.715
local terms energy: -107.109654
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -24.389
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -25.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -236.544344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.544344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.544344 (E_RNA)
where:
Base-Base interactions energy: -139.406
where: short stacking energy: -78.439
Base-Backbone interact. energy: -0.490
local terms energy: -96.647745
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -22.158
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -15.236
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: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -242.746723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.746723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.746723 (E_RNA)
where:
Base-Base interactions energy: -140.391
where: short stacking energy: -82.814
Base-Backbone interact. energy: -0.374
local terms energy: -101.981793
where:
bonds (distance) C4'-P energy: -23.695
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -27.495
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: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -129.197121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.197121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.197121 (E_RNA)
where:
Base-Base interactions energy: -53.178
where: short stacking energy: -44.695
Base-Backbone interact. energy: 0.919
local terms energy: -76.937751
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -26.056
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -18.807
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -131.181220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.181220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.181220 (E_RNA)
where:
Base-Base interactions energy: -50.356
where: short stacking energy: -49.955
Base-Backbone interact. energy: -0.670
local terms energy: -80.155260
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -409.373047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.373047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.373047 (E_RNA)
where:
Base-Base interactions energy: -276.439
where: short stacking energy: -138.887
Base-Backbone interact. energy: -0.003
local terms energy: -132.931235
where:
bonds (distance) C4'-P energy: -26.082
bonds (distance) P-C4' energy: -25.996
flat angles C4'-P-C4' energy: -27.198
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -37.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -421.093568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.093568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.093568 (E_RNA)
where:
Base-Base interactions energy: -281.795
where: short stacking energy: -141.910
Base-Backbone interact. energy: -0.497
local terms energy: -138.801562
where:
bonds (distance) C4'-P energy: -21.929
bonds (distance) P-C4' energy: -26.344
flat angles C4'-P-C4' energy: -27.195
flat angles P-C4'-P energy: -21.084
tors. eta vs tors. theta energy: -42.249
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: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -343.866843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.866843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.866843 (E_RNA)
where:
Base-Base interactions energy: -217.383
where: short stacking energy: -115.799
Base-Backbone interact. energy: -0.663
local terms energy: -125.820756
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -25.873
flat angles C4'-P-C4' energy: -25.844
flat angles P-C4'-P energy: -19.540
tors. eta vs tors. theta energy: -33.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -305.797925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.797925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.797925 (E_RNA)
where:
Base-Base interactions energy: -195.124
where: short stacking energy: -93.259
Base-Backbone interact. energy: -0.473
local terms energy: -110.200907
where:
bonds (distance) C4'-P energy: -23.508
bonds (distance) P-C4' energy: -28.217
flat angles C4'-P-C4' energy: -24.089
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -20.371
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: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -287.979867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.979867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.979867 (E_RNA)
where:
Base-Base interactions energy: -176.472
where: short stacking energy: -94.916
Base-Backbone interact. energy: -0.105
local terms energy: -111.402876
where:
bonds (distance) C4'-P energy: -25.568
bonds (distance) P-C4' energy: -25.009
flat angles C4'-P-C4' energy: -23.014
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -270.060547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.060547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.060547 (E_RNA)
where:
Base-Base interactions energy: -161.481
where: short stacking energy: -93.317
Base-Backbone interact. energy: 3.128
local terms energy: -111.707536
where:
bonds (distance) C4'-P energy: -26.761
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -23.339
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -18.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -293.910778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.910778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.910778 (E_RNA)
where:
Base-Base interactions energy: -177.071
where: short stacking energy: -85.817
Base-Backbone interact. energy: -0.120
local terms energy: -116.720643
where:
bonds (distance) C4'-P energy: -24.530
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -28.046
flat angles P-C4'-P energy: -18.414
tors. eta vs tors. theta energy: -23.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -149.129306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.129306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.129306 (E_RNA)
where:
Base-Base interactions energy: -72.367
where: short stacking energy: -54.238
Base-Backbone interact. energy: -0.197
local terms energy: -76.565340
where:
bonds (distance) C4'-P energy: -24.700
bonds (distance) P-C4' energy: -22.915
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -4.434
tors. eta vs tors. theta energy: -3.199
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: 9, replica: 5
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -203.137169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.137169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.137169 (E_RNA)
where:
Base-Base interactions energy: -106.418
where: short stacking energy: -54.408
Base-Backbone interact. energy: -0.429
local terms energy: -96.290935
where:
bonds (distance) C4'-P energy: -25.303
bonds (distance) P-C4' energy: -24.509
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -9.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -181.045235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.045235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.045235 (E_RNA)
where:
Base-Base interactions energy: -100.052
where: short stacking energy: -62.584
Base-Backbone interact. energy: -0.680
local terms energy: -80.313516
where:
bonds (distance) C4'-P energy: -26.427
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -7.587
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -430.283070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.283070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.283070 (E_RNA)
where:
Base-Base interactions energy: -289.193
where: short stacking energy: -139.362
Base-Backbone interact. energy: -0.001
local terms energy: -141.088451
where:
bonds (distance) C4'-P energy: -23.929
bonds (distance) P-C4' energy: -26.265
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -40.083
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: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -405.848252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.848252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.848252 (E_RNA)
where:
Base-Base interactions energy: -264.258
where: short stacking energy: -129.923
Base-Backbone interact. energy: -1.021
local terms energy: -140.570042
where:
bonds (distance) C4'-P energy: -26.725
bonds (distance) P-C4' energy: -25.575
flat angles C4'-P-C4' energy: -28.144
flat angles P-C4'-P energy: -17.906
tors. eta vs tors. theta energy: -42.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -348.648901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.648901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.648901 (E_RNA)
where:
Base-Base interactions energy: -231.897
where: short stacking energy: -127.286
Base-Backbone interact. energy: -1.015
local terms energy: -115.737233
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -18.098
flat angles C4'-P-C4' energy: -27.065
flat angles P-C4'-P energy: -15.620
tors. eta vs tors. theta energy: -31.302
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: 396
Temperature: 1.050000
Total energy: -307.761051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.761051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.761051 (E_RNA)
where:
Base-Base interactions energy: -180.879
where: short stacking energy: -110.548
Base-Backbone interact. energy: -0.057
local terms energy: -126.825422
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -29.601
flat angles C4'-P-C4' energy: -28.213
flat angles P-C4'-P energy: -21.457
tors. eta vs tors. theta energy: -28.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -273.291758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.291758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.291758 (E_RNA)
where:
Base-Base interactions energy: -161.900
where: short stacking energy: -89.831
Base-Backbone interact. energy: -0.372
local terms energy: -111.019535
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -28.378
flat angles C4'-P-C4' energy: -26.864
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -20.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -296.756580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.756580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.756580 (E_RNA)
where:
Base-Base interactions energy: -176.697
where: short stacking energy: -99.748
Base-Backbone interact. energy: -0.821
local terms energy: -119.238189
where:
bonds (distance) C4'-P energy: -23.520
bonds (distance) P-C4' energy: -28.187
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -19.164
tors. eta vs tors. theta energy: -27.535
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: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -307.610657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.610657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.610657 (E_RNA)
where:
Base-Base interactions energy: -197.444
where: short stacking energy: -104.971
Base-Backbone interact. energy: -0.064
local terms energy: -110.103314
where:
bonds (distance) C4'-P energy: -23.954
bonds (distance) P-C4' energy: -21.991
flat angles C4'-P-C4' energy: -23.047
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -27.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -149.629048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.629048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.629048 (E_RNA)
where:
Base-Base interactions energy: -61.797
where: short stacking energy: -54.372
Base-Backbone interact. energy: 0.127
local terms energy: -87.958879
where:
bonds (distance) C4'-P energy: -23.362
bonds (distance) P-C4' energy: -25.320
flat angles C4'-P-C4' energy: -22.232
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -5.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -232.524438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.524438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.524438 (E_RNA)
where:
Base-Base interactions energy: -132.343
where: short stacking energy: -71.106
Base-Backbone interact. energy: -0.349
local terms energy: -99.833123
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -17.928
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: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -125.604741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.604741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.604741 (E_RNA)
where:
Base-Base interactions energy: -53.084
where: short stacking energy: -50.066
Base-Backbone interact. energy: -1.600
local terms energy: -70.920755
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -25.967
flat angles C4'-P-C4' energy: -8.611
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -429.923221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.923221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.923221 (E_RNA)
where:
Base-Base interactions energy: -277.286
where: short stacking energy: -144.325
Base-Backbone interact. energy: -0.001
local terms energy: -152.636722
where:
bonds (distance) C4'-P energy: -29.269
bonds (distance) P-C4' energy: -27.690
flat angles C4'-P-C4' energy: -31.578
flat angles P-C4'-P energy: -21.403
tors. eta vs tors. theta energy: -42.697
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: 4
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -407.184535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.184535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.184535 (E_RNA)
where:
Base-Base interactions energy: -276.794
where: short stacking energy: -140.845
Base-Backbone interact. energy: -0.669
local terms energy: -129.722405
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -26.537
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: -40.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -321.293372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.293372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.293372 (E_RNA)
where:
Base-Base interactions energy: -197.494
where: short stacking energy: -100.513
Base-Backbone interact. energy: -0.748
local terms energy: -123.050986
where:
bonds (distance) C4'-P energy: -23.972
bonds (distance) P-C4' energy: -30.076
flat angles C4'-P-C4' energy: -25.251
flat angles P-C4'-P energy: -20.071
tors. eta vs tors. theta energy: -23.682
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: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -314.960706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.960706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.960706 (E_RNA)
where:
Base-Base interactions energy: -199.621
where: short stacking energy: -111.432
Base-Backbone interact. energy: -0.753
local terms energy: -114.586202
where:
bonds (distance) C4'-P energy: -20.228
bonds (distance) P-C4' energy: -21.138
flat angles C4'-P-C4' energy: -26.432
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -28.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -290.865043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.865043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.865043 (E_RNA)
where:
Base-Base interactions energy: -172.207
where: short stacking energy: -98.168
Base-Backbone interact. energy: 0.505
local terms energy: -119.162105
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -25.786
flat angles P-C4'-P energy: -21.340
tors. eta vs tors. theta energy: -29.336
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: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -289.925746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.925746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.925746 (E_RNA)
where:
Base-Base interactions energy: -180.002
where: short stacking energy: -98.267
Base-Backbone interact. energy: -1.473
local terms energy: -108.449910
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -22.637
tors. eta vs tors. theta energy: -20.875
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: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -274.577819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.577819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.577819 (E_RNA)
where:
Base-Base interactions energy: -166.910
where: short stacking energy: -81.795
Base-Backbone interact. energy: 0.020
local terms energy: -107.687324
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -24.571
flat angles C4'-P-C4' energy: -26.323
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: -16.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -228.010229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.010229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.010229 (E_RNA)
where:
Base-Base interactions energy: -136.417
where: short stacking energy: -78.712
Base-Backbone interact. energy: -1.370
local terms energy: -90.222781
where:
bonds (distance) C4'-P energy: -27.690
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -18.744
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -10.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -144.572443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.572443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.572443 (E_RNA)
where:
Base-Base interactions energy: -61.819
where: short stacking energy: -51.444
Base-Backbone interact. energy: 0.572
local terms energy: -83.325448
where:
bonds (distance) C4'-P energy: -26.005
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -134.088469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.088469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.088469 (E_RNA)
where:
Base-Base interactions energy: -59.251
where: short stacking energy: -46.282
Base-Backbone interact. energy: 0.413
local terms energy: -75.250992
where:
bonds (distance) C4'-P energy: -21.785
bonds (distance) P-C4' energy: -28.541
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -408.596199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.596199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.596199 (E_RNA)
where:
Base-Base interactions energy: -274.083
where: short stacking energy: -124.411
Base-Backbone interact. energy: -1.190
local terms energy: -133.324101
where:
bonds (distance) C4'-P energy: -23.454
bonds (distance) P-C4' energy: -24.490
flat angles C4'-P-C4' energy: -28.584
flat angles P-C4'-P energy: -17.183
tors. eta vs tors. theta energy: -39.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -413.807322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.807322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.807322 (E_RNA)
where:
Base-Base interactions energy: -271.910
where: short stacking energy: -129.370
Base-Backbone interact. energy: -0.600
local terms energy: -141.297488
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -29.559
flat angles P-C4'-P energy: -20.476
tors. eta vs tors. theta energy: -42.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -314.799091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.799091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.799091 (E_RNA)
where:
Base-Base interactions energy: -193.936
where: short stacking energy: -115.177
Base-Backbone interact. energy: -0.203
local terms energy: -120.660064
where:
bonds (distance) C4'-P energy: -26.197
bonds (distance) P-C4' energy: -22.935
flat angles C4'-P-C4' energy: -30.990
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -27.469
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: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -333.882520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.882520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.882520 (E_RNA)
where:
Base-Base interactions energy: -213.583
where: short stacking energy: -108.271
Base-Backbone interact. energy: 2.334
local terms energy: -122.633169
where:
bonds (distance) C4'-P energy: -24.530
bonds (distance) P-C4' energy: -28.029
flat angles C4'-P-C4' energy: -25.964
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -28.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -265.240019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.240019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.240019 (E_RNA)
where:
Base-Base interactions energy: -163.535
where: short stacking energy: -95.540
Base-Backbone interact. energy: -0.082
local terms energy: -101.623086
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -23.880
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -19.897
tors. eta vs tors. theta energy: -18.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -280.889343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.889343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.889343 (E_RNA)
where:
Base-Base interactions energy: -170.421
where: short stacking energy: -97.162
Base-Backbone interact. energy: -0.103
local terms energy: -110.365262
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -25.489
flat angles P-C4'-P energy: -20.173
tors. eta vs tors. theta energy: -23.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -285.106423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.106423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.106423 (E_RNA)
where:
Base-Base interactions energy: -182.880
where: short stacking energy: -97.626
Base-Backbone interact. energy: -0.386
local terms energy: -101.839824
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -24.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -224.487722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.487722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.487722 (E_RNA)
where:
Base-Base interactions energy: -133.955
where: short stacking energy: -69.088
Base-Backbone interact. energy: -0.621
local terms energy: -89.911315
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -24.505
flat angles C4'-P-C4' energy: -24.269
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -177.864925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.864925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.864925 (E_RNA)
where:
Base-Base interactions energy: -97.867
where: short stacking energy: -46.558
Base-Backbone interact. energy: 0.648
local terms energy: -80.646058
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -26.924
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -122.996996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.996996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.996996 (E_RNA)
where:
Base-Base interactions energy: -49.728
where: short stacking energy: -47.469
Base-Backbone interact. energy: -0.119
local terms energy: -73.149570
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -25.900
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -413.223136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.223136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.223136 (E_RNA)
where:
Base-Base interactions energy: -275.167
where: short stacking energy: -133.670
Base-Backbone interact. energy: -0.543
local terms energy: -137.513104
where:
bonds (distance) C4'-P energy: -24.203
bonds (distance) P-C4' energy: -26.137
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -21.857
tors. eta vs tors. theta energy: -37.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -407.406257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.406257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.406257 (E_RNA)
where:
Base-Base interactions energy: -268.736
where: short stacking energy: -132.524
Base-Backbone interact. energy: -0.333
local terms energy: -138.337071
where:
bonds (distance) C4'-P energy: -24.000
bonds (distance) P-C4' energy: -25.134
flat angles C4'-P-C4' energy: -27.851
flat angles P-C4'-P energy: -20.010
tors. eta vs tors. theta energy: -41.342
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: 3, replica: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -335.731609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.731609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.731609 (E_RNA)
where:
Base-Base interactions energy: -205.462
where: short stacking energy: -126.639
Base-Backbone interact. energy: -0.751
local terms energy: -129.518611
where:
bonds (distance) C4'-P energy: -26.993
bonds (distance) P-C4' energy: -24.629
flat angles C4'-P-C4' energy: -28.740
flat angles P-C4'-P energy: -14.402
tors. eta vs tors. theta energy: -34.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -343.789530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.789530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.789530 (E_RNA)
where:
Base-Base interactions energy: -208.951
where: short stacking energy: -119.525
Base-Backbone interact. energy: -0.876
local terms energy: -133.962511
where:
bonds (distance) C4'-P energy: -27.825
bonds (distance) P-C4' energy: -23.660
flat angles C4'-P-C4' energy: -28.580
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -36.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -255.233877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.233877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.233877 (E_RNA)
where:
Base-Base interactions energy: -153.697
where: short stacking energy: -84.167
Base-Backbone interact. energy: 0.628
local terms energy: -102.165558
where:
bonds (distance) C4'-P energy: -24.442
bonds (distance) P-C4' energy: -21.702
flat angles C4'-P-C4' energy: -30.327
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -18.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -277.912451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.912451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.912451 (E_RNA)
where:
Base-Base interactions energy: -175.294
where: short stacking energy: -94.773
Base-Backbone interact. energy: -0.153
local terms energy: -102.465620
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -22.711
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -27.212
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: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -296.532862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.532862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.532862 (E_RNA)
where:
Base-Base interactions energy: -187.199
where: short stacking energy: -94.826
Base-Backbone interact. energy: -0.411
local terms energy: -108.922477
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -25.472
flat angles C4'-P-C4' energy: -23.138
flat angles P-C4'-P energy: -17.911
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -229.510346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.510346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.510346 (E_RNA)
where:
Base-Base interactions energy: -131.484
where: short stacking energy: -81.227
Base-Backbone interact. energy: -0.961
local terms energy: -97.065256
where:
bonds (distance) C4'-P energy: -27.582
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -24.579
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -141.165329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.165329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.165329 (E_RNA)
where:
Base-Base interactions energy: -58.026
where: short stacking energy: -51.345
Base-Backbone interact. energy: -1.133
local terms energy: -82.006831
where:
bonds (distance) C4'-P energy: -25.960
bonds (distance) P-C4' energy: -28.994
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -2.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -125.258184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.258184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.258184 (E_RNA)
where:
Base-Base interactions energy: -54.177
where: short stacking energy: -41.445
Base-Backbone interact. energy: -0.217
local terms energy: -70.864618
where:
bonds (distance) C4'-P energy: -22.934
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -421.592606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.592606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.592606 (E_RNA)
where:
Base-Base interactions energy: -277.192
where: short stacking energy: -137.638
Base-Backbone interact. energy: -0.290
local terms energy: -144.111333
where:
bonds (distance) C4'-P energy: -27.141
bonds (distance) P-C4' energy: -25.561
flat angles C4'-P-C4' energy: -28.196
flat angles P-C4'-P energy: -21.220
tors. eta vs tors. theta energy: -41.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -390.767250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.767250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.767250 (E_RNA)
where:
Base-Base interactions energy: -264.412
where: short stacking energy: -118.227
Base-Backbone interact. energy: -1.072
local terms energy: -125.283221
where:
bonds (distance) C4'-P energy: -25.130
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -27.782
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -31.146
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: 3, replica: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -344.734186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.734186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.734186 (E_RNA)
where:
Base-Base interactions energy: -220.415
where: short stacking energy: -109.490
Base-Backbone interact. energy: -1.233
local terms energy: -123.086817
where:
bonds (distance) C4'-P energy: -25.697
bonds (distance) P-C4' energy: -26.008
flat angles C4'-P-C4' energy: -26.642
flat angles P-C4'-P energy: -16.342
tors. eta vs tors. theta energy: -28.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -298.827094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.827094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.827094 (E_RNA)
where:
Base-Base interactions energy: -182.521
where: short stacking energy: -103.941
Base-Backbone interact. energy: -0.062
local terms energy: -116.244235
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -26.821
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: -26.520
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: 400
Temperature: 1.100000
Total energy: -294.052654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.052654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.052654 (E_RNA)
where:
Base-Base interactions energy: -180.436
where: short stacking energy: -107.178
Base-Backbone interact. energy: -0.182
local terms energy: -113.434066
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -26.137
flat angles C4'-P-C4' energy: -26.079
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -24.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -249.267222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.267222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.267222 (E_RNA)
where:
Base-Base interactions energy: -141.278
where: short stacking energy: -82.176
Base-Backbone interact. energy: -1.234
local terms energy: -106.755202
where:
bonds (distance) C4'-P energy: -24.819
bonds (distance) P-C4' energy: -23.457
flat angles C4'-P-C4' energy: -22.115
flat angles P-C4'-P energy: -17.439
tors. eta vs tors. theta energy: -18.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -319.035779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.035779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.035779 (E_RNA)
where:
Base-Base interactions energy: -208.793
where: short stacking energy: -103.834
Base-Backbone interact. energy: 0.844
local terms energy: -111.086664
where:
bonds (distance) C4'-P energy: -25.477
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -28.644
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -27.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -216.735093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.735093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.735093 (E_RNA)
where:
Base-Base interactions energy: -132.159
where: short stacking energy: -72.708
Base-Backbone interact. energy: -0.456
local terms energy: -84.119736
where:
bonds (distance) C4'-P energy: -24.705
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -8.558
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: 9, replica: 6
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -135.974028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.974028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.974028 (E_RNA)
where:
Base-Base interactions energy: -61.659
where: short stacking energy: -47.696
Base-Backbone interact. energy: -0.659
local terms energy: -73.656121
where:
bonds (distance) C4'-P energy: -25.208
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -16.730
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: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -145.943514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.943514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.943514 (E_RNA)
where:
Base-Base interactions energy: -69.065
where: short stacking energy: -56.855
Base-Backbone interact. energy: 0.014
local terms energy: -76.893244
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -23.650
flat angles C4'-P-C4' energy: -19.687
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -5.230
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -430.161648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.161648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.161648 (E_RNA)
where:
Base-Base interactions energy: -285.860
where: short stacking energy: -152.101
Base-Backbone interact. energy: -1.131
local terms energy: -143.170805
where:
bonds (distance) C4'-P energy: -24.410
bonds (distance) P-C4' energy: -27.127
flat angles C4'-P-C4' energy: -30.384
flat angles P-C4'-P energy: -19.821
tors. eta vs tors. theta energy: -41.429
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: 4
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -394.880252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.880252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.880252 (E_RNA)
where:
Base-Base interactions energy: -255.736
where: short stacking energy: -116.577
Base-Backbone interact. energy: -0.763
local terms energy: -138.380399
where:
bonds (distance) C4'-P energy: -25.775
bonds (distance) P-C4' energy: -27.593
flat angles C4'-P-C4' energy: -28.209
flat angles P-C4'-P energy: -19.056
tors. eta vs tors. theta energy: -37.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -338.063593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.063593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.063593 (E_RNA)
where:
Base-Base interactions energy: -217.969
where: short stacking energy: -107.513
Base-Backbone interact. energy: -1.995
local terms energy: -118.099914
where:
bonds (distance) C4'-P energy: -25.747
bonds (distance) P-C4' energy: -26.120
flat angles C4'-P-C4' energy: -28.138
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -305.491932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.491932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.491932 (E_RNA)
where:
Base-Base interactions energy: -179.606
where: short stacking energy: -101.290
Base-Backbone interact. energy: 0.327
local terms energy: -126.213063
where:
bonds (distance) C4'-P energy: -28.082
bonds (distance) P-C4' energy: -25.424
flat angles C4'-P-C4' energy: -24.352
flat angles P-C4'-P energy: -22.726
tors. eta vs tors. theta energy: -25.629
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: 3
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -266.899160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.899160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.899160 (E_RNA)
where:
Base-Base interactions energy: -165.523
where: short stacking energy: -93.898
Base-Backbone interact. energy: -0.835
local terms energy: -100.541151
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -26.415
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -21.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -302.755365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.755365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.755365 (E_RNA)
where:
Base-Base interactions energy: -187.103
where: short stacking energy: -109.559
Base-Backbone interact. energy: -0.591
local terms energy: -115.061396
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -24.343
flat angles P-C4'-P energy: -18.112
tors. eta vs tors. theta energy: -30.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -240.668982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.668982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.668982 (E_RNA)
where:
Base-Base interactions energy: -138.921
where: short stacking energy: -75.205
Base-Backbone interact. energy: 0.222
local terms energy: -101.969079
where:
bonds (distance) C4'-P energy: -25.582
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -25.682
flat angles P-C4'-P energy: -13.864
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: 8, replica: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -206.041380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.041380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.041380 (E_RNA)
where:
Base-Base interactions energy: -118.132
where: short stacking energy: -58.682
Base-Backbone interact. energy: -0.600
local terms energy: -87.309458
where:
bonds (distance) C4'-P energy: -25.230
bonds (distance) P-C4' energy: -23.466
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -8.291
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: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -129.025697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.025697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.025697 (E_RNA)
where:
Base-Base interactions energy: -57.290
where: short stacking energy: -53.639
Base-Backbone interact. energy: -0.076
local terms energy: -71.659108
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -16.807
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: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -132.135570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.135570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.135570 (E_RNA)
where:
Base-Base interactions energy: -45.388
where: short stacking energy: -43.297
Base-Backbone interact. energy: -0.212
local terms energy: -86.535506
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -19.234
tors. eta vs tors. theta energy: -4.026
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -430.384548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.384548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.384548 (E_RNA)
where:
Base-Base interactions energy: -287.979
where: short stacking energy: -147.007
Base-Backbone interact. energy: -0.002
local terms energy: -142.404381
where:
bonds (distance) C4'-P energy: -25.127
bonds (distance) P-C4' energy: -24.375
flat angles C4'-P-C4' energy: -31.058
flat angles P-C4'-P energy: -19.561
tors. eta vs tors. theta energy: -42.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -394.330031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.330031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.330031 (E_RNA)
where:
Base-Base interactions energy: -264.482
where: short stacking energy: -133.229
Base-Backbone interact. energy: -0.737
local terms energy: -129.111232
where:
bonds (distance) C4'-P energy: -23.705
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -29.167
flat angles P-C4'-P energy: -18.746
tors. eta vs tors. theta energy: -33.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -346.005332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.005332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.005332 (E_RNA)
where:
Base-Base interactions energy: -227.488
where: short stacking energy: -122.255
Base-Backbone interact. energy: -0.557
local terms energy: -117.960953
where:
bonds (distance) C4'-P energy: -22.912
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -27.057
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -32.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -311.947923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.947923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.947923 (E_RNA)
where:
Base-Base interactions energy: -192.234
where: short stacking energy: -101.857
Base-Backbone interact. energy: -1.136
local terms energy: -118.577560
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -28.100
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -19.544
tors. eta vs tors. theta energy: -23.898
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: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -322.038323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.038323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.038323 (E_RNA)
where:
Base-Base interactions energy: -200.083
where: short stacking energy: -110.066
Base-Backbone interact. energy: -0.669
local terms energy: -121.285393
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -28.172
flat angles P-C4'-P energy: -19.977
tors. eta vs tors. theta energy: -28.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -274.994890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.994890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.994890 (E_RNA)
where:
Base-Base interactions energy: -159.895
where: short stacking energy: -102.052
Base-Backbone interact. energy: -1.906
local terms energy: -113.194270
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -22.610
flat angles C4'-P-C4' energy: -28.193
flat angles P-C4'-P energy: -22.874
tors. eta vs tors. theta energy: -22.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -239.078653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.078653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.078653 (E_RNA)
where:
Base-Base interactions energy: -147.231
where: short stacking energy: -76.319
Base-Backbone interact. energy: -0.093
local terms energy: -91.754482
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -24.736
flat angles C4'-P-C4' energy: -22.587
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -11.934
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: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -229.272120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.272120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.272120 (E_RNA)
where:
Base-Base interactions energy: -132.687
where: short stacking energy: -83.374
Base-Backbone interact. energy: -0.145
local terms energy: -96.439804
where:
bonds (distance) C4'-P energy: -25.843
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -10.951
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: 9, replica: 10
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -130.089755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.089755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.089755 (E_RNA)
where:
Base-Base interactions energy: -60.016
where: short stacking energy: -50.791
Base-Backbone interact. energy: -0.132
local terms energy: -69.941934
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -13.741
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: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -139.545163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.545163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.545163 (E_RNA)
where:
Base-Base interactions energy: -41.433
where: short stacking energy: -41.433
Base-Backbone interact. energy: -0.102
local terms energy: -98.009252
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -17.387
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -421.797648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.797648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.797648 (E_RNA)
where:
Base-Base interactions energy: -274.982
where: short stacking energy: -139.971
Base-Backbone interact. energy: -1.690
local terms energy: -145.125720
where:
bonds (distance) C4'-P energy: -29.441
bonds (distance) P-C4' energy: -26.330
flat angles C4'-P-C4' energy: -30.230
flat angles P-C4'-P energy: -17.987
tors. eta vs tors. theta energy: -41.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -382.882487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.882487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.882487 (E_RNA)
where:
Base-Base interactions energy: -246.790
where: short stacking energy: -122.745
Base-Backbone interact. energy: -0.125
local terms energy: -135.967863
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -30.595
flat angles C4'-P-C4' energy: -28.555
flat angles P-C4'-P energy: -22.551
tors. eta vs tors. theta energy: -32.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -345.613729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.613729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.613729 (E_RNA)
where:
Base-Base interactions energy: -210.552
where: short stacking energy: -121.994
Base-Backbone interact. energy: -0.447
local terms energy: -134.614634
where:
bonds (distance) C4'-P energy: -26.310
bonds (distance) P-C4' energy: -27.716
flat angles C4'-P-C4' energy: -28.453
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: -32.998
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: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -331.442569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.442569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.442569 (E_RNA)
where:
Base-Base interactions energy: -206.879
where: short stacking energy: -101.834
Base-Backbone interact. energy: -0.889
local terms energy: -123.674648
where:
bonds (distance) C4'-P energy: -23.887
bonds (distance) P-C4' energy: -24.691
flat angles C4'-P-C4' energy: -22.980
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: -32.447
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: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -307.811618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.811618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.811618 (E_RNA)
where:
Base-Base interactions energy: -196.898
where: short stacking energy: -104.910
Base-Backbone interact. energy: -1.274
local terms energy: -109.640379
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -27.090
flat angles P-C4'-P energy: -22.621
tors. eta vs tors. theta energy: -27.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -246.582330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.582330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.582330 (E_RNA)
where:
Base-Base interactions energy: -139.841
where: short stacking energy: -77.711
Base-Backbone interact. energy: -0.863
local terms energy: -105.878112
where:
bonds (distance) C4'-P energy: -27.937
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -24.519
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -19.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -275.751791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.751791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.751791 (E_RNA)
where:
Base-Base interactions energy: -162.114
where: short stacking energy: -92.584
Base-Backbone interact. energy: -0.088
local terms energy: -113.549978
where:
bonds (distance) C4'-P energy: -25.718
bonds (distance) P-C4' energy: -28.642
flat angles C4'-P-C4' energy: -26.595
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -20.618
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: 5
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -237.638736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.638736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.638736 (E_RNA)
where:
Base-Base interactions energy: -132.648
where: short stacking energy: -82.777
Base-Backbone interact. energy: 0.776
local terms energy: -105.767224
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -25.460
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -150.489690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.489690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.489690 (E_RNA)
where:
Base-Base interactions energy: -66.460
where: short stacking energy: -62.596
Base-Backbone interact. energy: -0.401
local terms energy: -83.629022
where:
bonds (distance) C4'-P energy: -17.928
bonds (distance) P-C4' energy: -26.065
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -9.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -120.973582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.973582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.973582 (E_RNA)
where:
Base-Base interactions energy: -50.058
where: short stacking energy: -46.660
Base-Backbone interact. energy: -0.908
local terms energy: -70.008354
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -23.812
flat angles P-C4'-P energy: -3.580
tors. eta vs tors. theta energy: -9.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -432.088252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.088252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.088252 (E_RNA)
where:
Base-Base interactions energy: -281.266
where: short stacking energy: -139.878
Base-Backbone interact. energy: -0.150
local terms energy: -150.672599
where:
bonds (distance) C4'-P energy: -27.627
bonds (distance) P-C4' energy: -28.748
flat angles C4'-P-C4' energy: -27.608
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -42.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -389.974121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.974121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.974121 (E_RNA)
where:
Base-Base interactions energy: -260.454
where: short stacking energy: -126.825
Base-Backbone interact. energy: -0.408
local terms energy: -129.111815
where:
bonds (distance) C4'-P energy: -26.242
bonds (distance) P-C4' energy: -28.122
flat angles C4'-P-C4' energy: -28.283
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -34.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -340.818245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.818245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.818245 (E_RNA)
where:
Base-Base interactions energy: -211.219
where: short stacking energy: -125.187
Base-Backbone interact. energy: -0.329
local terms energy: -129.270011
where:
bonds (distance) C4'-P energy: -23.028
bonds (distance) P-C4' energy: -26.195
flat angles C4'-P-C4' energy: -26.715
flat angles P-C4'-P energy: -18.395
tors. eta vs tors. theta energy: -34.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -328.575812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.575812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.575812 (E_RNA)
where:
Base-Base interactions energy: -197.897
where: short stacking energy: -107.874
Base-Backbone interact. energy: -0.242
local terms energy: -130.437169
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -28.325
flat angles C4'-P-C4' energy: -28.846
flat angles P-C4'-P energy: -21.454
tors. eta vs tors. theta energy: -33.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -299.984724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.984724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.984724 (E_RNA)
where:
Base-Base interactions energy: -189.089
where: short stacking energy: -108.037
Base-Backbone interact. energy: -0.103
local terms energy: -110.793527
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -26.656
flat angles C4'-P-C4' energy: -25.328
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -28.116
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: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -258.593253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.593253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.593253 (E_RNA)
where:
Base-Base interactions energy: -152.518
where: short stacking energy: -77.959
Base-Backbone interact. energy: 0.057
local terms energy: -106.131787
where:
bonds (distance) C4'-P energy: -26.099
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -26.112
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -265.844688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.844688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.844688 (E_RNA)
where:
Base-Base interactions energy: -160.135
where: short stacking energy: -80.832
Base-Backbone interact. energy: -0.649
local terms energy: -105.061110
where:
bonds (distance) C4'-P energy: -26.762
bonds (distance) P-C4' energy: -23.520
flat angles C4'-P-C4' energy: -23.478
flat angles P-C4'-P energy: -18.201
tors. eta vs tors. theta energy: -13.100
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: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -238.627088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.627088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.627088 (E_RNA)
where:
Base-Base interactions energy: -136.653
where: short stacking energy: -72.724
Base-Backbone interact. energy: -0.465
local terms energy: -101.508783
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -23.720
flat angles C4'-P-C4' energy: -24.233
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -135.667059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.667059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.667059 (E_RNA)
where:
Base-Base interactions energy: -63.805
where: short stacking energy: -40.965
Base-Backbone interact. energy: 1.685
local terms energy: -73.547450
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -23.026
flat angles C4'-P-C4' energy: -24.677
flat angles P-C4'-P energy: -14.169
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: 10, replica: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -124.361606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.361606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.361606 (E_RNA)
where:
Base-Base interactions energy: -44.229
where: short stacking energy: -42.597
Base-Backbone interact. energy: -0.286
local terms energy: -79.846009
where:
bonds (distance) C4'-P energy: -25.072
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -3.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -433.387688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.387688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.387688 (E_RNA)
where:
Base-Base interactions energy: -282.459
where: short stacking energy: -144.341
Base-Backbone interact. energy: -0.911
local terms energy: -150.017840
where:
bonds (distance) C4'-P energy: -27.418
bonds (distance) P-C4' energy: -26.553
flat angles C4'-P-C4' energy: -29.723
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: -43.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -398.013957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.013957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.013957 (E_RNA)
where:
Base-Base interactions energy: -258.495
where: short stacking energy: -139.706
Base-Backbone interact. energy: -1.178
local terms energy: -138.340589
where:
bonds (distance) C4'-P energy: -25.783
bonds (distance) P-C4' energy: -27.448
flat angles C4'-P-C4' energy: -28.736
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -33.954
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: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -345.374768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.374768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.374768 (E_RNA)
where:
Base-Base interactions energy: -226.727
where: short stacking energy: -126.952
Base-Backbone interact. energy: -0.869
local terms energy: -117.778767
where:
bonds (distance) C4'-P energy: -22.955
bonds (distance) P-C4' energy: -22.946
flat angles C4'-P-C4' energy: -29.739
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -27.938
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: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -330.432591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.432591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.432591 (E_RNA)
where:
Base-Base interactions energy: -215.616
where: short stacking energy: -108.326
Base-Backbone interact. energy: -0.843
local terms energy: -113.973522
where:
bonds (distance) C4'-P energy: -25.316
bonds (distance) P-C4' energy: -23.502
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -27.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -271.013600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.013600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.013600 (E_RNA)
where:
Base-Base interactions energy: -169.430
where: short stacking energy: -96.993
Base-Backbone interact. energy: -0.691
local terms energy: -100.893069
where:
bonds (distance) C4'-P energy: -26.879
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -15.150
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: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -262.573511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.573511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.573511 (E_RNA)
where:
Base-Base interactions energy: -154.438
where: short stacking energy: -84.109
Base-Backbone interact. energy: -0.639
local terms energy: -107.496317
where:
bonds (distance) C4'-P energy: -25.624
bonds (distance) P-C4' energy: -23.708
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -17.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -265.190394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.190394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.190394 (E_RNA)
where:
Base-Base interactions energy: -149.207
where: short stacking energy: -84.561
Base-Backbone interact. energy: -0.710
local terms energy: -115.273424
where:
bonds (distance) C4'-P energy: -23.884
bonds (distance) P-C4' energy: -26.983
flat angles C4'-P-C4' energy: -28.180
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -21.355
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: 5
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -248.103014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.103014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.103014 (E_RNA)
where:
Base-Base interactions energy: -144.605
where: short stacking energy: -84.106
Base-Backbone interact. energy: 0.397
local terms energy: -103.895106
where:
bonds (distance) C4'-P energy: -19.571
bonds (distance) P-C4' energy: -25.609
flat angles C4'-P-C4' energy: -22.521
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -142.278996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.278996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.278996 (E_RNA)
where:
Base-Base interactions energy: -50.663
where: short stacking energy: -47.117
Base-Backbone interact. energy: -0.596
local terms energy: -91.019174
where:
bonds (distance) C4'-P energy: -27.652
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -16.179
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -129.082202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.082202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.082202 (E_RNA)
where:
Base-Base interactions energy: -41.270
where: short stacking energy: -41.270
Base-Backbone interact. energy: -1.267
local terms energy: -86.545540
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -25.846
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -385.917884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.917884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.917884 (E_RNA)
where:
Base-Base interactions energy: -261.424
where: short stacking energy: -127.825
Base-Backbone interact. energy: -0.307
local terms energy: -124.187133
where:
bonds (distance) C4'-P energy: -26.213
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -27.315
flat angles P-C4'-P energy: -16.753
tors. eta vs tors. theta energy: -33.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -425.318692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.318692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.318692 (E_RNA)
where:
Base-Base interactions energy: -276.134
where: short stacking energy: -143.947
Base-Backbone interact. energy: -0.296
local terms energy: -148.889054
where:
bonds (distance) C4'-P energy: -29.883
bonds (distance) P-C4' energy: -26.500
flat angles C4'-P-C4' energy: -30.826
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -42.067
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: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -348.647245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.647245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.647245 (E_RNA)
where:
Base-Base interactions energy: -210.166
where: short stacking energy: -121.275
Base-Backbone interact. energy: -0.234
local terms energy: -138.247605
where:
bonds (distance) C4'-P energy: -28.851
bonds (distance) P-C4' energy: -26.736
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -20.771
tors. eta vs tors. theta energy: -31.951
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: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -351.246728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.246728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.246728 (E_RNA)
where:
Base-Base interactions energy: -216.547
where: short stacking energy: -116.759
Base-Backbone interact. energy: -0.718
local terms energy: -133.981983
where:
bonds (distance) C4'-P energy: -22.758
bonds (distance) P-C4' energy: -27.425
flat angles C4'-P-C4' energy: -28.099
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -36.137
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: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -299.598591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.598591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.598591 (E_RNA)
where:
Base-Base interactions energy: -187.795
where: short stacking energy: -104.790
Base-Backbone interact. energy: -0.027
local terms energy: -111.776896
where:
bonds (distance) C4'-P energy: -23.322
bonds (distance) P-C4' energy: -23.149
flat angles C4'-P-C4' energy: -25.580
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -21.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -271.157329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.157329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.157329 (E_RNA)
where:
Base-Base interactions energy: -153.130
where: short stacking energy: -87.373
Base-Backbone interact. energy: -0.552
local terms energy: -117.474682
where:
bonds (distance) C4'-P energy: -24.940
bonds (distance) P-C4' energy: -25.685
flat angles C4'-P-C4' energy: -30.382
flat angles P-C4'-P energy: -15.098
tors. eta vs tors. theta energy: -21.371
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: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -236.437606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.437606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.437606 (E_RNA)
where:
Base-Base interactions energy: -139.958
where: short stacking energy: -78.247
Base-Backbone interact. energy: -0.192
local terms energy: -96.287849
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -12.661
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: 8, replica: 3
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -213.194134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.194134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.194134 (E_RNA)
where:
Base-Base interactions energy: -106.949
where: short stacking energy: -53.614
Base-Backbone interact. energy: -1.278
local terms energy: -104.966923
where:
bonds (distance) C4'-P energy: -25.405
bonds (distance) P-C4' energy: -28.194
flat angles C4'-P-C4' energy: -25.577
flat angles P-C4'-P energy: -17.328
tors. eta vs tors. theta energy: -8.463
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: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -129.043680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.043680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.043680 (E_RNA)
where:
Base-Base interactions energy: -52.160
where: short stacking energy: -48.214
Base-Backbone interact. energy: -0.051
local terms energy: -76.833211
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -23.845
flat angles C4'-P-C4' energy: -26.952
flat angles P-C4'-P energy: -7.487
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: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -118.943277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.943277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.943277 (E_RNA)
where:
Base-Base interactions energy: -43.632
where: short stacking energy: -43.132
Base-Backbone interact. energy: -0.237
local terms energy: -75.074171
where:
bonds (distance) C4'-P energy: -22.245
bonds (distance) P-C4' energy: -20.668
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -18.126
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -403.646143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.646143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.646143 (E_RNA)
where:
Base-Base interactions energy: -270.434
where: short stacking energy: -138.555
Base-Backbone interact. energy: 0.452
local terms energy: -133.663755
where:
bonds (distance) C4'-P energy: -27.366
bonds (distance) P-C4' energy: -26.891
flat angles C4'-P-C4' energy: -27.783
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -35.982
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: 407
Temperature: 0.950000
Total energy: -399.351421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.351421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.351421 (E_RNA)
where:
Base-Base interactions energy: -267.481
where: short stacking energy: -129.429
Base-Backbone interact. energy: -0.003
local terms energy: -131.867958
where:
bonds (distance) C4'-P energy: -23.326
bonds (distance) P-C4' energy: -22.802
flat angles C4'-P-C4' energy: -30.523
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -42.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -348.833369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.833369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.833369 (E_RNA)
where:
Base-Base interactions energy: -220.578
where: short stacking energy: -121.476
Base-Backbone interact. energy: -0.197
local terms energy: -128.058212
where:
bonds (distance) C4'-P energy: -23.879
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -26.130
flat angles P-C4'-P energy: -21.877
tors. eta vs tors. theta energy: -32.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -344.189248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.189248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.189248 (E_RNA)
where:
Base-Base interactions energy: -217.030
where: short stacking energy: -116.218
Base-Backbone interact. energy: -0.051
local terms energy: -127.107471
where:
bonds (distance) C4'-P energy: -26.008
bonds (distance) P-C4' energy: -27.136
flat angles C4'-P-C4' energy: -23.328
flat angles P-C4'-P energy: -17.103
tors. eta vs tors. theta energy: -33.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -283.661331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.661331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.661331 (E_RNA)
where:
Base-Base interactions energy: -178.987
where: short stacking energy: -87.793
Base-Backbone interact. energy: 0.456
local terms energy: -105.130577
where:
bonds (distance) C4'-P energy: -25.077
bonds (distance) P-C4' energy: -24.498
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -19.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -279.672955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.672955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.672955 (E_RNA)
where:
Base-Base interactions energy: -168.057
where: short stacking energy: -106.017
Base-Backbone interact. energy: -0.329
local terms energy: -111.286723
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -25.831
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: -25.410
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: 7, replica: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -230.869366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.869366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.869366 (E_RNA)
where:
Base-Base interactions energy: -126.774
where: short stacking energy: -68.683
Base-Backbone interact. energy: -0.571
local terms energy: -103.524504
where:
bonds (distance) C4'-P energy: -27.002
bonds (distance) P-C4' energy: -23.734
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -15.184
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: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -236.854439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.854439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.854439 (E_RNA)
where:
Base-Base interactions energy: -124.245
where: short stacking energy: -64.596
Base-Backbone interact. energy: -0.617
local terms energy: -111.991956
where:
bonds (distance) C4'-P energy: -26.845
bonds (distance) P-C4' energy: -25.640
flat angles C4'-P-C4' energy: -26.667
flat angles P-C4'-P energy: -17.971
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -135.775421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.775421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.775421 (E_RNA)
where:
Base-Base interactions energy: -57.646
where: short stacking energy: -57.646
Base-Backbone interact. energy: 2.013
local terms energy: -80.142302
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -22.230
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -11.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -120.143286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.143286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.143286 (E_RNA)
where:
Base-Base interactions energy: -48.488
where: short stacking energy: -40.171
Base-Backbone interact. energy: -0.725
local terms energy: -70.929945
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -23.869
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: 6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -412.435920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.435920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.435920 (E_RNA)
where:
Base-Base interactions energy: -272.066
where: short stacking energy: -131.419
Base-Backbone interact. energy: -0.130
local terms energy: -140.239374
where:
bonds (distance) C4'-P energy: -27.364
bonds (distance) P-C4' energy: -27.811
flat angles C4'-P-C4' energy: -23.880
flat angles P-C4'-P energy: -22.211
tors. eta vs tors. theta energy: -38.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -373.776058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.776058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.776058 (E_RNA)
where:
Base-Base interactions energy: -242.067
where: short stacking energy: -136.790
Base-Backbone interact. energy: -0.679
local terms energy: -131.030232
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -26.849
flat angles C4'-P-C4' energy: -27.771
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -35.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -349.152645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.152645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.152645 (E_RNA)
where:
Base-Base interactions energy: -219.945
where: short stacking energy: -116.669
Base-Backbone interact. energy: -2.693
local terms energy: -126.514150
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -26.008
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -32.690
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: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -346.337610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.337610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.337610 (E_RNA)
where:
Base-Base interactions energy: -211.409
where: short stacking energy: -112.864
Base-Backbone interact. energy: -1.113
local terms energy: -133.816056
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -30.481
flat angles C4'-P-C4' energy: -27.670
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -31.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -275.264994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.264994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.264994 (E_RNA)
where:
Base-Base interactions energy: -167.532
where: short stacking energy: -92.428
Base-Backbone interact. energy: -0.210
local terms energy: -107.523484
where:
bonds (distance) C4'-P energy: -23.409
bonds (distance) P-C4' energy: -24.421
flat angles C4'-P-C4' energy: -25.994
flat angles P-C4'-P energy: -15.483
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: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -263.907455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.907455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.907455 (E_RNA)
where:
Base-Base interactions energy: -144.681
where: short stacking energy: -93.369
Base-Backbone interact. energy: 1.515
local terms energy: -120.741375
where:
bonds (distance) C4'-P energy: -26.790
bonds (distance) P-C4' energy: -24.774
flat angles C4'-P-C4' energy: -26.659
flat angles P-C4'-P energy: -17.608
tors. eta vs tors. theta energy: -24.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -240.614085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.614085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.614085 (E_RNA)
where:
Base-Base interactions energy: -133.994
where: short stacking energy: -72.879
Base-Backbone interact. energy: -0.158
local terms energy: -106.461734
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -26.076
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -20.509
tors. eta vs tors. theta energy: -23.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -216.756482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.756482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.756482 (E_RNA)
where:
Base-Base interactions energy: -123.053
where: short stacking energy: -64.014
Base-Backbone interact. energy: -1.338
local terms energy: -92.365793
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -28.663
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -8.205
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: 10
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -130.679469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.679469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.679469 (E_RNA)
where:
Base-Base interactions energy: -43.121
where: short stacking energy: -43.121
Base-Backbone interact. energy: 3.203
local terms energy: -90.760754
where:
bonds (distance) C4'-P energy: -25.275
bonds (distance) P-C4' energy: -27.786
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -17.633
tors. eta vs tors. theta energy: -0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -132.920473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.920473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.920473 (E_RNA)
where:
Base-Base interactions energy: -51.949
where: short stacking energy: -51.949
Base-Backbone interact. energy: -0.116
local terms energy: -80.855235
where:
bonds (distance) C4'-P energy: -24.347
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -414.511584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.511584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.511584 (E_RNA)
where:
Base-Base interactions energy: -276.876
where: short stacking energy: -133.227
Base-Backbone interact. energy: -0.057
local terms energy: -137.578859
where:
bonds (distance) C4'-P energy: -24.542
bonds (distance) P-C4' energy: -26.067
flat angles C4'-P-C4' energy: -27.733
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -43.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -382.334195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.334195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.334195 (E_RNA)
where:
Base-Base interactions energy: -247.797
where: short stacking energy: -122.925
Base-Backbone interact. energy: -0.814
local terms energy: -133.723448
where:
bonds (distance) C4'-P energy: -24.165
bonds (distance) P-C4' energy: -27.944
flat angles C4'-P-C4' energy: -25.322
flat angles P-C4'-P energy: -21.193
tors. eta vs tors. theta energy: -35.100
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: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -345.142521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.142521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.142521 (E_RNA)
where:
Base-Base interactions energy: -221.856
where: short stacking energy: -114.109
Base-Backbone interact. energy: -0.212
local terms energy: -123.074440
where:
bonds (distance) C4'-P energy: -24.380
bonds (distance) P-C4' energy: -26.838
flat angles C4'-P-C4' energy: -26.983
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -30.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -336.648019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.648019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.648019 (E_RNA)
where:
Base-Base interactions energy: -218.126
where: short stacking energy: -118.748
Base-Backbone interact. energy: 0.227
local terms energy: -118.749911
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -29.559
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: -34.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -273.499637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.499637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.499637 (E_RNA)
where:
Base-Base interactions energy: -165.642
where: short stacking energy: -94.561
Base-Backbone interact. energy: -0.986
local terms energy: -106.871801
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -20.068
flat angles C4'-P-C4' energy: -26.911
flat angles P-C4'-P energy: -16.882
tors. eta vs tors. theta energy: -23.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -288.333328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.333328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.333328 (E_RNA)
where:
Base-Base interactions energy: -174.186
where: short stacking energy: -92.849
Base-Backbone interact. energy: -0.629
local terms energy: -113.518124
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -25.507
flat angles C4'-P-C4' energy: -29.912
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -22.288
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: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -263.491407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.491407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.491407 (E_RNA)
where:
Base-Base interactions energy: -161.011
where: short stacking energy: -92.491
Base-Backbone interact. energy: -1.768
local terms energy: -100.712928
where:
bonds (distance) C4'-P energy: -28.252
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -25.946
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -16.902
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: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -233.431949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.431949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.431949 (E_RNA)
where:
Base-Base interactions energy: -132.937
where: short stacking energy: -78.576
Base-Backbone interact. energy: -0.626
local terms energy: -99.869326
where:
bonds (distance) C4'-P energy: -22.537
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -25.411
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -19.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -144.747365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.747365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.747365 (E_RNA)
where:
Base-Base interactions energy: -46.855
where: short stacking energy: -46.855
Base-Backbone interact. energy: -0.331
local terms energy: -97.561487
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -31.973
flat angles C4'-P-C4' energy: -22.950
flat angles P-C4'-P energy: -21.830
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: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -163.531444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.531444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.531444 (E_RNA)
where:
Base-Base interactions energy: -74.667
where: short stacking energy: -51.005
Base-Backbone interact. energy: -0.223
local terms energy: -88.641555
where:
bonds (distance) C4'-P energy: -28.447
bonds (distance) P-C4' energy: -22.768
flat angles C4'-P-C4' energy: -21.029
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -8.962
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -397.208463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.208463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.208463 (E_RNA)
where:
Base-Base interactions energy: -263.861
where: short stacking energy: -128.203
Base-Backbone interact. energy: -0.876
local terms energy: -132.471573
where:
bonds (distance) C4'-P energy: -23.134
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -27.354
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: -36.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -425.175680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.175680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.175680 (E_RNA)
where:
Base-Base interactions energy: -288.161
where: short stacking energy: -147.000
Base-Backbone interact. energy: -0.096
local terms energy: -136.918210
where:
bonds (distance) C4'-P energy: -24.990
bonds (distance) P-C4' energy: -26.638
flat angles C4'-P-C4' energy: -22.867
flat angles P-C4'-P energy: -20.190
tors. eta vs tors. theta energy: -42.233
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: 410
Temperature: 1.000000
Total energy: -354.038522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.038522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.038522 (E_RNA)
where:
Base-Base interactions energy: -232.170
where: short stacking energy: -121.144
Base-Backbone interact. energy: -0.258
local terms energy: -121.610418
where:
bonds (distance) C4'-P energy: -26.881
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -32.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -346.671986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.671986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.671986 (E_RNA)
where:
Base-Base interactions energy: -227.749
where: short stacking energy: -124.864
Base-Backbone interact. energy: -0.400
local terms energy: -118.523908
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -24.492
flat angles P-C4'-P energy: -22.772
tors. eta vs tors. theta energy: -31.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -291.663879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.663879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.663879 (E_RNA)
where:
Base-Base interactions energy: -182.176
where: short stacking energy: -96.776
Base-Backbone interact. energy: -1.611
local terms energy: -107.877263
where:
bonds (distance) C4'-P energy: -27.005
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -22.581
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: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -269.850015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.850015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.850015 (E_RNA)
where:
Base-Base interactions energy: -163.822
where: short stacking energy: -76.821
Base-Backbone interact. energy: -0.802
local terms energy: -105.226488
where:
bonds (distance) C4'-P energy: -27.216
bonds (distance) P-C4' energy: -27.202
flat angles C4'-P-C4' energy: -24.458
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -13.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -235.110871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.110871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.110871 (E_RNA)
where:
Base-Base interactions energy: -132.636
where: short stacking energy: -77.057
Base-Backbone interact. energy: -0.724
local terms energy: -101.750229
where:
bonds (distance) C4'-P energy: -23.718
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -8.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -219.244650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.244650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.244650 (E_RNA)
where:
Base-Base interactions energy: -129.361
where: short stacking energy: -75.937
Base-Backbone interact. energy: -1.409
local terms energy: -88.474610
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -23.521
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -13.362
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: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -147.854699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.854699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.854699 (E_RNA)
where:
Base-Base interactions energy: -70.873
where: short stacking energy: -64.563
Base-Backbone interact. energy: -0.221
local terms energy: -76.761175
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -19.519
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -6.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -143.800841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.800841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.800841 (E_RNA)
where:
Base-Base interactions energy: -55.852
where: short stacking energy: -46.689
Base-Backbone interact. energy: 0.049
local terms energy: -87.998076
where:
bonds (distance) C4'-P energy: -25.251
bonds (distance) P-C4' energy: -22.321
flat angles C4'-P-C4' energy: -22.579
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: 0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -401.584452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.584452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.584452 (E_RNA)
where:
Base-Base interactions energy: -261.964
where: short stacking energy: -119.797
Base-Backbone interact. energy: -2.285
local terms energy: -137.335791
where:
bonds (distance) C4'-P energy: -27.361
bonds (distance) P-C4' energy: -27.873
flat angles C4'-P-C4' energy: -26.400
flat angles P-C4'-P energy: -20.849
tors. eta vs tors. theta energy: -34.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -415.096769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.096769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.096769 (E_RNA)
where:
Base-Base interactions energy: -266.664
where: short stacking energy: -140.202
Base-Backbone interact. energy: -0.881
local terms energy: -147.551929
where:
bonds (distance) C4'-P energy: -24.192
bonds (distance) P-C4' energy: -28.964
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: -42.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -343.635680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.635680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.635680 (E_RNA)
where:
Base-Base interactions energy: -223.418
where: short stacking energy: -120.468
Base-Backbone interact. energy: -0.202
local terms energy: -120.015456
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -21.159
flat angles C4'-P-C4' energy: -25.960
flat angles P-C4'-P energy: -19.015
tors. eta vs tors. theta energy: -33.096
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: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -332.512064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.512064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.512064 (E_RNA)
where:
Base-Base interactions energy: -205.150
where: short stacking energy: -105.966
Base-Backbone interact. energy: -0.005
local terms energy: -127.356324
where:
bonds (distance) C4'-P energy: -25.062
bonds (distance) P-C4' energy: -29.597
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -22.354
tors. eta vs tors. theta energy: -33.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -298.434406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.434406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.434406 (E_RNA)
where:
Base-Base interactions energy: -181.195
where: short stacking energy: -101.084
Base-Backbone interact. energy: -1.245
local terms energy: -115.994364
where:
bonds (distance) C4'-P energy: -24.189
bonds (distance) P-C4' energy: -24.928
flat angles C4'-P-C4' energy: -26.163
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -26.569
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: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -261.902614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.902614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.902614 (E_RNA)
where:
Base-Base interactions energy: -160.498
where: short stacking energy: -82.914
Base-Backbone interact. energy: -0.450
local terms energy: -100.955036
where:
bonds (distance) C4'-P energy: -28.727
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -267.610590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.610590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.610590 (E_RNA)
where:
Base-Base interactions energy: -167.343
where: short stacking energy: -95.987
Base-Backbone interact. energy: -0.238
local terms energy: -100.029068
where:
bonds (distance) C4'-P energy: -21.822
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -26.839
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -26.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -145.898462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.898462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.898462 (E_RNA)
where:
Base-Base interactions energy: -51.278
where: short stacking energy: -45.869
Base-Backbone interact. energy: -0.295
local terms energy: -94.325409
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -27.848
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -208.245054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.245054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.245054 (E_RNA)
where:
Base-Base interactions energy: -116.975
where: short stacking energy: -67.019
Base-Backbone interact. energy: -1.657
local terms energy: -89.612744
where:
bonds (distance) C4'-P energy: -23.114
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -134.865748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.865748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.865748 (E_RNA)
where:
Base-Base interactions energy: -49.413
where: short stacking energy: -45.897
Base-Backbone interact. energy: -0.736
local terms energy: -84.716912
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -24.809
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -4.071
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -428.906502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.906502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.906502 (E_RNA)
where:
Base-Base interactions energy: -280.860
where: short stacking energy: -146.959
Base-Backbone interact. energy: -0.034
local terms energy: -148.013178
where:
bonds (distance) C4'-P energy: -28.565
bonds (distance) P-C4' energy: -26.427
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -22.409
tors. eta vs tors. theta energy: -41.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -391.941919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.941919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.941919 (E_RNA)
where:
Base-Base interactions energy: -253.065
where: short stacking energy: -124.321
Base-Backbone interact. energy: -1.068
local terms energy: -137.808717
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -26.650
flat angles C4'-P-C4' energy: -27.876
flat angles P-C4'-P energy: -21.013
tors. eta vs tors. theta energy: -38.416
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: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -333.675702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.675702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.675702 (E_RNA)
where:
Base-Base interactions energy: -209.698
where: short stacking energy: -123.306
Base-Backbone interact. energy: -0.490
local terms energy: -123.487522
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -25.649
flat angles C4'-P-C4' energy: -26.735
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -33.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -303.988752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.988752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.988752 (E_RNA)
where:
Base-Base interactions energy: -192.745
where: short stacking energy: -105.295
Base-Backbone interact. energy: -0.073
local terms energy: -111.170545
where:
bonds (distance) C4'-P energy: -23.144
bonds (distance) P-C4' energy: -26.989
flat angles C4'-P-C4' energy: -20.929
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -21.745
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: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -299.579917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.579917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.579917 (E_RNA)
where:
Base-Base interactions energy: -177.903
where: short stacking energy: -92.120
Base-Backbone interact. energy: -2.007
local terms energy: -119.669974
where:
bonds (distance) C4'-P energy: -25.675
bonds (distance) P-C4' energy: -30.934
flat angles C4'-P-C4' energy: -26.843
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -269.901312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.901312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.901312 (E_RNA)
where:
Base-Base interactions energy: -157.319
where: short stacking energy: -74.540
Base-Backbone interact. energy: -0.894
local terms energy: -111.689031
where:
bonds (distance) C4'-P energy: -28.715
bonds (distance) P-C4' energy: -26.143
flat angles C4'-P-C4' energy: -24.547
flat angles P-C4'-P energy: -18.687
tors. eta vs tors. theta energy: -13.596
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: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -244.933732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.933732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.933732 (E_RNA)
where:
Base-Base interactions energy: -144.259
where: short stacking energy: -81.085
Base-Backbone interact. energy: -1.645
local terms energy: -99.030368
where:
bonds (distance) C4'-P energy: -25.205
bonds (distance) P-C4' energy: -23.935
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -10.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -145.990864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.990864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.990864 (E_RNA)
where:
Base-Base interactions energy: -63.179
where: short stacking energy: -55.330
Base-Backbone interact. energy: 0.345
local terms energy: -83.157195
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -23.344
flat angles C4'-P-C4' energy: -23.812
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -201.850490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.850490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.850490 (E_RNA)
where:
Base-Base interactions energy: -113.685
where: short stacking energy: -68.119
Base-Backbone interact. energy: 0.268
local terms energy: -88.433430
where:
bonds (distance) C4'-P energy: -25.105
bonds (distance) P-C4' energy: -21.343
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -13.652
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: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -131.064141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.064141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.064141 (E_RNA)
where:
Base-Base interactions energy: -55.871
where: short stacking energy: -55.765
Base-Backbone interact. energy: 1.062
local terms energy: -76.254770
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -27.393
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -5.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -422.959703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.959703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.959703 (E_RNA)
where:
Base-Base interactions energy: -281.010
where: short stacking energy: -137.703
Base-Backbone interact. energy: -0.177
local terms energy: -141.772960
where:
bonds (distance) C4'-P energy: -24.382
bonds (distance) P-C4' energy: -24.446
flat angles C4'-P-C4' energy: -31.080
flat angles P-C4'-P energy: -20.452
tors. eta vs tors. theta energy: -41.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -375.882654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.882654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.882654 (E_RNA)
where:
Base-Base interactions energy: -249.540
where: short stacking energy: -116.113
Base-Backbone interact. energy: -1.082
local terms energy: -125.261247
where:
bonds (distance) C4'-P energy: -24.766
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -30.206
flat angles P-C4'-P energy: -17.759
tors. eta vs tors. theta energy: -29.536
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: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -348.159114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.159114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.159114 (E_RNA)
where:
Base-Base interactions energy: -220.589
where: short stacking energy: -112.999
Base-Backbone interact. energy: -0.788
local terms energy: -126.782121
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -30.292
flat angles P-C4'-P energy: -16.108
tors. eta vs tors. theta energy: -31.750
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: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -293.598376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.598376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.598376 (E_RNA)
where:
Base-Base interactions energy: -184.883
where: short stacking energy: -93.678
Base-Backbone interact. energy: -0.518
local terms energy: -108.197098
where:
bonds (distance) C4'-P energy: -26.533
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -24.706
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -315.768996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.768996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.768996 (E_RNA)
where:
Base-Base interactions energy: -205.599
where: short stacking energy: -118.632
Base-Backbone interact. energy: -1.771
local terms energy: -108.399348
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -22.208
flat angles C4'-P-C4' energy: -22.924
flat angles P-C4'-P energy: -21.795
tors. eta vs tors. theta energy: -23.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -277.176111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.176111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.176111 (E_RNA)
where:
Base-Base interactions energy: -166.972
where: short stacking energy: -92.679
Base-Backbone interact. energy: 3.091
local terms energy: -113.294727
where:
bonds (distance) C4'-P energy: -23.185
bonds (distance) P-C4' energy: -25.242
flat angles C4'-P-C4' energy: -28.703
flat angles P-C4'-P energy: -20.556
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -261.057913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.057913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.057913 (E_RNA)
where:
Base-Base interactions energy: -160.849
where: short stacking energy: -90.535
Base-Backbone interact. energy: -0.177
local terms energy: -100.032248
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -25.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -228.029987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.029987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.029987 (E_RNA)
where:
Base-Base interactions energy: -122.788
where: short stacking energy: -68.116
Base-Backbone interact. energy: 0.349
local terms energy: -105.591547
where:
bonds (distance) C4'-P energy: -23.047
bonds (distance) P-C4' energy: -23.881
flat angles C4'-P-C4' energy: -27.109
flat angles P-C4'-P energy: -20.568
tors. eta vs tors. theta energy: -10.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -147.531173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.531173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.531173 (E_RNA)
where:
Base-Base interactions energy: -56.015
where: short stacking energy: -54.020
Base-Backbone interact. energy: -0.416
local terms energy: -91.100916
where:
bonds (distance) C4'-P energy: -21.600
bonds (distance) P-C4' energy: -25.137
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -12.924
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: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -149.493904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.493904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.493904 (E_RNA)
where:
Base-Base interactions energy: -58.514
where: short stacking energy: -50.617
Base-Backbone interact. energy: 0.469
local terms energy: -91.449535
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -11.075
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -428.747986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.747986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.747986 (E_RNA)
where:
Base-Base interactions energy: -281.949
where: short stacking energy: -140.458
Base-Backbone interact. energy: -0.568
local terms energy: -146.230150
where:
bonds (distance) C4'-P energy: -26.729
bonds (distance) P-C4' energy: -28.069
flat angles C4'-P-C4' energy: -27.121
flat angles P-C4'-P energy: -23.608
tors. eta vs tors. theta energy: -40.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -387.285414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.285414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.285414 (E_RNA)
where:
Base-Base interactions energy: -252.009
where: short stacking energy: -117.602
Base-Backbone interact. energy: -0.516
local terms energy: -134.761205
where:
bonds (distance) C4'-P energy: -26.380
bonds (distance) P-C4' energy: -26.869
flat angles C4'-P-C4' energy: -30.694
flat angles P-C4'-P energy: -20.975
tors. eta vs tors. theta energy: -29.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -339.338980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.338980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.338980 (E_RNA)
where:
Base-Base interactions energy: -211.599
where: short stacking energy: -113.133
Base-Backbone interact. energy: -0.899
local terms energy: -126.840417
where:
bonds (distance) C4'-P energy: -28.240
bonds (distance) P-C4' energy: -27.384
flat angles C4'-P-C4' energy: -30.692
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -25.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -296.906295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.906295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.906295 (E_RNA)
where:
Base-Base interactions energy: -190.896
where: short stacking energy: -96.100
Base-Backbone interact. energy: -0.205
local terms energy: -105.804480
where:
bonds (distance) C4'-P energy: -22.100
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -27.151
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -14.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -325.560827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.560827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.560827 (E_RNA)
where:
Base-Base interactions energy: -210.737
where: short stacking energy: -118.178
Base-Backbone interact. energy: -0.061
local terms energy: -114.762803
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -26.367
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -29.483
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: 414
Temperature: 1.150000
Total energy: -283.569676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.569676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.569676 (E_RNA)
where:
Base-Base interactions energy: -173.648
where: short stacking energy: -88.217
Base-Backbone interact. energy: -0.746
local terms energy: -109.175502
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -29.728
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -15.908
tors. eta vs tors. theta energy: -21.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -239.157469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.157469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.157469 (E_RNA)
where:
Base-Base interactions energy: -148.794
where: short stacking energy: -81.327
Base-Backbone interact. energy: -0.145
local terms energy: -90.218052
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -232.878052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.878052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.878052 (E_RNA)
where:
Base-Base interactions energy: -137.992
where: short stacking energy: -72.613
Base-Backbone interact. energy: -0.215
local terms energy: -94.670786
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -9.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -137.835861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.835861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.835861 (E_RNA)
where:
Base-Base interactions energy: -53.221
where: short stacking energy: -50.657
Base-Backbone interact. energy: 2.099
local terms energy: -86.713974
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -21.648
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -9.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -124.527210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.527210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.527210 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -37.590
Base-Backbone interact. energy: -0.871
local terms energy: -83.156406
where:
bonds (distance) C4'-P energy: -24.612
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -428.317680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.317680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.317680 (E_RNA)
where:
Base-Base interactions energy: -274.014
where: short stacking energy: -142.281
Base-Backbone interact. energy: -0.792
local terms energy: -153.511866
where:
bonds (distance) C4'-P energy: -28.368
bonds (distance) P-C4' energy: -29.971
flat angles C4'-P-C4' energy: -30.328
flat angles P-C4'-P energy: -21.479
tors. eta vs tors. theta energy: -43.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -381.203739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.203739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.203739 (E_RNA)
where:
Base-Base interactions energy: -249.608
where: short stacking energy: -119.074
Base-Backbone interact. energy: -1.157
local terms energy: -130.438635
where:
bonds (distance) C4'-P energy: -24.182
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -27.580
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: -33.122
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: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -352.584597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.584597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.584597 (E_RNA)
where:
Base-Base interactions energy: -226.639
where: short stacking energy: -121.301
Base-Backbone interact. energy: 0.571
local terms energy: -126.516606
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -27.980
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -35.503
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: 4, replica: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -347.001756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.001756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.001756 (E_RNA)
where:
Base-Base interactions energy: -226.852
where: short stacking energy: -117.044
Base-Backbone interact. energy: -1.302
local terms energy: -118.847362
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -24.675
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -28.690
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: 415
Temperature: 1.100000
Total energy: -297.904319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.904319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.904319 (E_RNA)
where:
Base-Base interactions energy: -180.567
where: short stacking energy: -88.994
Base-Backbone interact. energy: -0.475
local terms energy: -116.862943
where:
bonds (distance) C4'-P energy: -29.528
bonds (distance) P-C4' energy: -28.106
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -20.660
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: 6, replica: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -269.660297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.660297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.660297 (E_RNA)
where:
Base-Base interactions energy: -161.299
where: short stacking energy: -91.765
Base-Backbone interact. energy: 1.343
local terms energy: -109.703920
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -27.221
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -22.237
tors. eta vs tors. theta energy: -22.743
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: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -252.394400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.394400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.394400 (E_RNA)
where:
Base-Base interactions energy: -161.827
where: short stacking energy: -84.005
Base-Backbone interact. energy: 1.970
local terms energy: -92.537142
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -13.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -182.112070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.112070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.112070 (E_RNA)
where:
Base-Base interactions energy: -105.217
where: short stacking energy: -59.914
Base-Backbone interact. energy: -0.790
local terms energy: -76.105968
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -2.974
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: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -136.485336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.485336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.485336 (E_RNA)
where:
Base-Base interactions energy: -49.645
where: short stacking energy: -37.473
Base-Backbone interact. energy: -0.524
local terms energy: -86.316977
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -26.492
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -118.757989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.757989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.757989 (E_RNA)
where:
Base-Base interactions energy: -54.712
where: short stacking energy: -46.844
Base-Backbone interact. energy: -1.153
local terms energy: -62.892484
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -19.258
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -439.063252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.063252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.063252 (E_RNA)
where:
Base-Base interactions energy: -285.660
where: short stacking energy: -141.044
Base-Backbone interact. energy: -0.788
local terms energy: -152.615481
where:
bonds (distance) C4'-P energy: -26.439
bonds (distance) P-C4' energy: -29.088
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -43.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -384.456968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.456968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.456968 (E_RNA)
where:
Base-Base interactions energy: -254.070
where: short stacking energy: -121.048
Base-Backbone interact. energy: -2.068
local terms energy: -128.318776
where:
bonds (distance) C4'-P energy: -30.476
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -25.825
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -33.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -349.575417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.575417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.575417 (E_RNA)
where:
Base-Base interactions energy: -221.570
where: short stacking energy: -121.496
Base-Backbone interact. energy: -0.204
local terms energy: -127.801848
where:
bonds (distance) C4'-P energy: -22.588
bonds (distance) P-C4' energy: -24.609
flat angles C4'-P-C4' energy: -24.274
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -34.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -337.378593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.378593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.378593 (E_RNA)
where:
Base-Base interactions energy: -209.438
where: short stacking energy: -118.344
Base-Backbone interact. energy: 0.188
local terms energy: -128.128890
where:
bonds (distance) C4'-P energy: -26.372
bonds (distance) P-C4' energy: -24.906
flat angles C4'-P-C4' energy: -25.986
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -34.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -285.530284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.530284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.530284 (E_RNA)
where:
Base-Base interactions energy: -184.217
where: short stacking energy: -89.832
Base-Backbone interact. energy: -0.194
local terms energy: -101.119284
where:
bonds (distance) C4'-P energy: -23.855
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -16.549
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: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -272.035783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.035783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.035783 (E_RNA)
where:
Base-Base interactions energy: -171.527
where: short stacking energy: -93.041
Base-Backbone interact. energy: -0.347
local terms energy: -100.161897
where:
bonds (distance) C4'-P energy: -24.264
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -19.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -233.724841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.724841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.724841 (E_RNA)
where:
Base-Base interactions energy: -142.714
where: short stacking energy: -84.561
Base-Backbone interact. energy: -0.555
local terms energy: -90.455132
where:
bonds (distance) C4'-P energy: -20.662
bonds (distance) P-C4' energy: -26.570
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -11.716
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: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -190.306302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.306302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.306302 (E_RNA)
where:
Base-Base interactions energy: -105.256
where: short stacking energy: -75.239
Base-Backbone interact. energy: -0.618
local terms energy: -84.432198
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -22.055
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -8.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -149.569718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.569718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.569718 (E_RNA)
where:
Base-Base interactions energy: -68.996
where: short stacking energy: -57.487
Base-Backbone interact. energy: -0.114
local terms energy: -80.460212
where:
bonds (distance) C4'-P energy: -22.074
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -22.122
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -122.685679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.685679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.685679 (E_RNA)
where:
Base-Base interactions energy: -67.690
where: short stacking energy: -48.990
Base-Backbone interact. energy: 1.617
local terms energy: -56.612502
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -423.565211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.565211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.565211 (E_RNA)
where:
Base-Base interactions energy: -276.383
where: short stacking energy: -136.637
Base-Backbone interact. energy: -0.902
local terms energy: -146.279959
where:
bonds (distance) C4'-P energy: -28.479
bonds (distance) P-C4' energy: -22.326
flat angles C4'-P-C4' energy: -31.021
flat angles P-C4'-P energy: -20.158
tors. eta vs tors. theta energy: -44.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -391.483631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.483631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.483631 (E_RNA)
where:
Base-Base interactions energy: -261.171
where: short stacking energy: -128.133
Base-Backbone interact. energy: -1.053
local terms energy: -129.259709
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -23.699
flat angles C4'-P-C4' energy: -30.956
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -35.706
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: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -344.993322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.993322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.993322 (E_RNA)
where:
Base-Base interactions energy: -207.283
where: short stacking energy: -114.440
Base-Backbone interact. energy: -1.493
local terms energy: -136.217555
where:
bonds (distance) C4'-P energy: -24.078
bonds (distance) P-C4' energy: -27.159
flat angles C4'-P-C4' energy: -30.772
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -33.462
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: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -348.601338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.601338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.601338 (E_RNA)
where:
Base-Base interactions energy: -226.115
where: short stacking energy: -119.343
Base-Backbone interact. energy: -0.553
local terms energy: -121.933708
where:
bonds (distance) C4'-P energy: -26.873
bonds (distance) P-C4' energy: -23.894
flat angles C4'-P-C4' energy: -24.706
flat angles P-C4'-P energy: -19.539
tors. eta vs tors. theta energy: -26.922
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: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -267.873219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.873219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.873219 (E_RNA)
where:
Base-Base interactions energy: -168.577
where: short stacking energy: -106.234
Base-Backbone interact. energy: -0.059
local terms energy: -99.236722
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -18.925
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -259.673477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.673477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.673477 (E_RNA)
where:
Base-Base interactions energy: -159.730
where: short stacking energy: -81.473
Base-Backbone interact. energy: -0.968
local terms energy: -98.975408
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -26.799
flat angles P-C4'-P energy: -10.211
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: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -267.076765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.076765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.076765 (E_RNA)
where:
Base-Base interactions energy: -153.939
where: short stacking energy: -77.313
Base-Backbone interact. energy: 1.511
local terms energy: -114.648240
where:
bonds (distance) C4'-P energy: -24.091
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -31.364
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -143.353304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.353304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.353304 (E_RNA)
where:
Base-Base interactions energy: -59.140
where: short stacking energy: -55.673
Base-Backbone interact. energy: -0.458
local terms energy: -83.754551
where:
bonds (distance) C4'-P energy: -26.568
bonds (distance) P-C4' energy: -24.684
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -134.175975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.175975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.175975 (E_RNA)
where:
Base-Base interactions energy: -52.352
where: short stacking energy: -52.752
Base-Backbone interact. energy: 0.469
local terms energy: -82.293233
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -25.504
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -8.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -125.250716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.250716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.250716 (E_RNA)
where:
Base-Base interactions energy: -47.155
where: short stacking energy: -45.580
Base-Backbone interact. energy: 1.928
local terms energy: -80.023996
where:
bonds (distance) C4'-P energy: -23.229
bonds (distance) P-C4' energy: -23.653
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -14.800
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -427.079577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.079577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.079577 (E_RNA)
where:
Base-Base interactions energy: -271.331
where: short stacking energy: -135.639
Base-Backbone interact. energy: -0.100
local terms energy: -155.647916
where:
bonds (distance) C4'-P energy: -26.703
bonds (distance) P-C4' energy: -32.809
flat angles C4'-P-C4' energy: -27.637
flat angles P-C4'-P energy: -23.000
tors. eta vs tors. theta energy: -45.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -387.593172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.593172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.593172 (E_RNA)
where:
Base-Base interactions energy: -257.465
where: short stacking energy: -125.674
Base-Backbone interact. energy: -0.200
local terms energy: -129.928173
where:
bonds (distance) C4'-P energy: -24.959
bonds (distance) P-C4' energy: -26.494
flat angles C4'-P-C4' energy: -29.866
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -32.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -349.130940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.130940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.130940 (E_RNA)
where:
Base-Base interactions energy: -218.890
where: short stacking energy: -111.657
Base-Backbone interact. energy: 1.389
local terms energy: -131.629389
where:
bonds (distance) C4'-P energy: -24.642
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -30.218
flat angles P-C4'-P energy: -19.406
tors. eta vs tors. theta energy: -33.684
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: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -343.212057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.212057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.212057 (E_RNA)
where:
Base-Base interactions energy: -222.904
where: short stacking energy: -119.767
Base-Backbone interact. energy: 0.655
local terms energy: -120.962670
where:
bonds (distance) C4'-P energy: -23.549
bonds (distance) P-C4' energy: -24.054
flat angles C4'-P-C4' energy: -31.314
flat angles P-C4'-P energy: -17.492
tors. eta vs tors. theta energy: -24.554
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: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -266.431598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.431598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.431598 (E_RNA)
where:
Base-Base interactions energy: -161.816
where: short stacking energy: -89.314
Base-Backbone interact. energy: 0.650
local terms energy: -105.265950
where:
bonds (distance) C4'-P energy: -19.634
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -28.322
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -22.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -286.840009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.840009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.840009 (E_RNA)
where:
Base-Base interactions energy: -181.039
where: short stacking energy: -92.156
Base-Backbone interact. energy: -0.358
local terms energy: -105.442198
where:
bonds (distance) C4'-P energy: -22.615
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -21.755
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -24.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -256.086916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.086916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.086916 (E_RNA)
where:
Base-Base interactions energy: -146.023
where: short stacking energy: -80.840
Base-Backbone interact. energy: -0.902
local terms energy: -109.162052
where:
bonds (distance) C4'-P energy: -21.902
bonds (distance) P-C4' energy: -25.223
flat angles C4'-P-C4' energy: -24.820
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -152.103128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.103128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.103128 (E_RNA)
where:
Base-Base interactions energy: -47.706
where: short stacking energy: -40.498
Base-Backbone interact. energy: -0.528
local terms energy: -103.869166
where:
bonds (distance) C4'-P energy: -25.781
bonds (distance) P-C4' energy: -26.002
flat angles C4'-P-C4' energy: -25.826
flat angles P-C4'-P energy: -21.054
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -154.921469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.921469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.921469 (E_RNA)
where:
Base-Base interactions energy: -58.560
where: short stacking energy: -50.255
Base-Backbone interact. energy: -0.244
local terms energy: -96.117277
where:
bonds (distance) C4'-P energy: -26.203
bonds (distance) P-C4' energy: -27.093
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -22.322
tors. eta vs tors. theta energy: -4.337
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: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -134.134090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.134090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.134090 (E_RNA)
where:
Base-Base interactions energy: -47.735
where: short stacking energy: -48.135
Base-Backbone interact. energy: -0.599
local terms energy: -85.800370
where:
bonds (distance) C4'-P energy: -24.216
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -6.462
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -424.838704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.838704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.838704 (E_RNA)
where:
Base-Base interactions energy: -285.404
where: short stacking energy: -145.201
Base-Backbone interact. energy: -0.175
local terms energy: -139.260193
where:
bonds (distance) C4'-P energy: -26.729
bonds (distance) P-C4' energy: -23.320
flat angles C4'-P-C4' energy: -28.935
flat angles P-C4'-P energy: -20.313
tors. eta vs tors. theta energy: -39.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -390.245048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.245048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.245048 (E_RNA)
where:
Base-Base interactions energy: -262.937
where: short stacking energy: -132.054
Base-Backbone interact. energy: -1.317
local terms energy: -125.990544
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -28.170
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -37.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -363.541485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.541485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.541485 (E_RNA)
where:
Base-Base interactions energy: -229.355
where: short stacking energy: -133.697
Base-Backbone interact. energy: -0.847
local terms energy: -133.339300
where:
bonds (distance) C4'-P energy: -25.533
bonds (distance) P-C4' energy: -27.126
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -16.638
tors. eta vs tors. theta energy: -37.748
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: 4, replica: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -341.946780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.946780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.946780 (E_RNA)
where:
Base-Base interactions energy: -213.544
where: short stacking energy: -111.789
Base-Backbone interact. energy: 0.290
local terms energy: -128.692469
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -30.075
flat angles P-C4'-P energy: -17.153
tors. eta vs tors. theta energy: -31.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -234.619616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.619616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.619616 (E_RNA)
where:
Base-Base interactions energy: -141.032
where: short stacking energy: -75.451
Base-Backbone interact. energy: 0.401
local terms energy: -93.988585
where:
bonds (distance) C4'-P energy: -22.836
bonds (distance) P-C4' energy: -24.111
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -12.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -271.805087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.805087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.805087 (E_RNA)
where:
Base-Base interactions energy: -161.712
where: short stacking energy: -78.514
Base-Backbone interact. energy: 0.146
local terms energy: -110.238824
where:
bonds (distance) C4'-P energy: -27.126
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -21.115
flat angles P-C4'-P energy: -20.989
tors. eta vs tors. theta energy: -21.711
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: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -245.737271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.737271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.737271 (E_RNA)
where:
Base-Base interactions energy: -145.777
where: short stacking energy: -79.778
Base-Backbone interact. energy: -0.650
local terms energy: -99.309750
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -28.059
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -139.996544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.996544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.996544 (E_RNA)
where:
Base-Base interactions energy: -63.914
where: short stacking energy: -45.957
Base-Backbone interact. energy: 0.231
local terms energy: -76.313715
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -9.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -135.900078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.900078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.900078 (E_RNA)
where:
Base-Base interactions energy: -43.094
where: short stacking energy: -41.461
Base-Backbone interact. energy: -0.879
local terms energy: -91.926913
where:
bonds (distance) C4'-P energy: -22.353
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -25.245
flat angles P-C4'-P energy: -14.225
tors. eta vs tors. theta energy: -3.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -134.533557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.533557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.533557 (E_RNA)
where:
Base-Base interactions energy: -52.120
where: short stacking energy: -46.089
Base-Backbone interact. energy: -0.102
local terms energy: -82.311375
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -24.327
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -6.109
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -430.540656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.540656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.540656 (E_RNA)
where:
Base-Base interactions energy: -276.587
where: short stacking energy: -146.643
Base-Backbone interact. energy: -0.001
local terms energy: -153.952730
where:
bonds (distance) C4'-P energy: -28.699
bonds (distance) P-C4' energy: -30.309
flat angles C4'-P-C4' energy: -31.252
flat angles P-C4'-P energy: -21.811
tors. eta vs tors. theta energy: -41.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -393.281068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.281068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.281068 (E_RNA)
where:
Base-Base interactions energy: -260.180
where: short stacking energy: -138.571
Base-Backbone interact. energy: -0.082
local terms energy: -133.018890
where:
bonds (distance) C4'-P energy: -26.232
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -27.661
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -35.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -327.042184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.042184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.042184 (E_RNA)
where:
Base-Base interactions energy: -202.847
where: short stacking energy: -120.556
Base-Backbone interact. energy: -0.258
local terms energy: -123.937081
where:
bonds (distance) C4'-P energy: -23.799
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -27.394
flat angles P-C4'-P energy: -16.724
tors. eta vs tors. theta energy: -29.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -347.736336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.736336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.736336 (E_RNA)
where:
Base-Base interactions energy: -215.230
where: short stacking energy: -116.353
Base-Backbone interact. energy: -0.206
local terms energy: -132.300626
where:
bonds (distance) C4'-P energy: -27.043
bonds (distance) P-C4' energy: -27.146
flat angles C4'-P-C4' energy: -26.463
flat angles P-C4'-P energy: -20.634
tors. eta vs tors. theta energy: -31.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -307.931683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.931683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.931683 (E_RNA)
where:
Base-Base interactions energy: -196.690
where: short stacking energy: -109.874
Base-Backbone interact. energy: -0.708
local terms energy: -110.533522
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -28.467
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -29.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -264.336938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.336938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.336938 (E_RNA)
where:
Base-Base interactions energy: -165.480
where: short stacking energy: -76.165
Base-Backbone interact. energy: -0.110
local terms energy: -98.746615
where:
bonds (distance) C4'-P energy: -22.165
bonds (distance) P-C4' energy: -25.322
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -243.448871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.448871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.448871 (E_RNA)
where:
Base-Base interactions energy: -149.344
where: short stacking energy: -78.321
Base-Backbone interact. energy: -0.386
local terms energy: -93.718933
where:
bonds (distance) C4'-P energy: -20.216
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -27.451
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -10.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -153.587722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.587722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.587722 (E_RNA)
where:
Base-Base interactions energy: -59.132
where: short stacking energy: -44.431
Base-Backbone interact. energy: -1.541
local terms energy: -92.915092
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -27.237
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -20.360
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -142.932822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.932822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.932822 (E_RNA)
where:
Base-Base interactions energy: -50.257
where: short stacking energy: -47.762
Base-Backbone interact. energy: 0.134
local terms energy: -92.809597
where:
bonds (distance) C4'-P energy: -24.774
bonds (distance) P-C4' energy: -25.951
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -15.786
tors. eta vs tors. theta energy: -4.149
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: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -128.502213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.502213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.502213 (E_RNA)
where:
Base-Base interactions energy: -54.022
where: short stacking energy: -54.473
Base-Backbone interact. energy: -0.036
local terms energy: -74.444499
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: 1.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -439.208359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.208359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.208359 (E_RNA)
where:
Base-Base interactions energy: -297.095
where: short stacking energy: -149.986
Base-Backbone interact. energy: -0.832
local terms energy: -141.281163
where:
bonds (distance) C4'-P energy: -23.156
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -30.725
flat angles P-C4'-P energy: -19.335
tors. eta vs tors. theta energy: -44.173
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: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -392.710238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.710238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.710238 (E_RNA)
where:
Base-Base interactions energy: -255.274
where: short stacking energy: -129.594
Base-Backbone interact. energy: -1.233
local terms energy: -136.203999
where:
bonds (distance) C4'-P energy: -24.400
bonds (distance) P-C4' energy: -25.703
flat angles C4'-P-C4' energy: -28.157
flat angles P-C4'-P energy: -20.901
tors. eta vs tors. theta energy: -37.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -330.450582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.450582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.450582 (E_RNA)
where:
Base-Base interactions energy: -218.160
where: short stacking energy: -116.570
Base-Backbone interact. energy: -3.124
local terms energy: -109.166516
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -31.163
flat angles P-C4'-P energy: -21.978
tors. eta vs tors. theta energy: -24.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -348.533457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.533457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.533457 (E_RNA)
where:
Base-Base interactions energy: -227.787
where: short stacking energy: -122.268
Base-Backbone interact. energy: -0.409
local terms energy: -120.337581
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -28.282
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -37.492
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: 5, replica: 3
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -279.895609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.895609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.895609 (E_RNA)
where:
Base-Base interactions energy: -162.024
where: short stacking energy: -90.520
Base-Backbone interact. energy: 0.598
local terms energy: -118.469442
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -26.527
flat angles C4'-P-C4' energy: -24.959
flat angles P-C4'-P energy: -19.277
tors. eta vs tors. theta energy: -26.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -280.807097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.807097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.807097 (E_RNA)
where:
Base-Base interactions energy: -169.219
where: short stacking energy: -94.644
Base-Backbone interact. energy: -2.538
local terms energy: -109.050738
where:
bonds (distance) C4'-P energy: -27.300
bonds (distance) P-C4' energy: -24.274
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -25.714
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: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -232.838243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.838243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.838243 (E_RNA)
where:
Base-Base interactions energy: -130.138
where: short stacking energy: -78.806
Base-Backbone interact. energy: -0.469
local terms energy: -102.231125
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -27.491
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -9.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -166.794904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.794904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.794904 (E_RNA)
where:
Base-Base interactions energy: -76.640
where: short stacking energy: -67.080
Base-Backbone interact. energy: 0.427
local terms energy: -90.581305
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -23.275
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -10.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -141.320294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.320294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.320294 (E_RNA)
where:
Base-Base interactions energy: -59.211
where: short stacking energy: -51.768
Base-Backbone interact. energy: -1.561
local terms energy: -80.547556
where:
bonds (distance) C4'-P energy: -26.777
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -6.360
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: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -131.676264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.676264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.676264 (E_RNA)
where:
Base-Base interactions energy: -47.089
where: short stacking energy: -43.608
Base-Backbone interact. energy: -0.362
local terms energy: -84.224961
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -25.854
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -429.965340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.965340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.965340 (E_RNA)
where:
Base-Base interactions energy: -277.571
where: short stacking energy: -135.171
Base-Backbone interact. energy: -0.623
local terms energy: -151.771025
where:
bonds (distance) C4'-P energy: -24.472
bonds (distance) P-C4' energy: -29.497
flat angles C4'-P-C4' energy: -30.938
flat angles P-C4'-P energy: -21.975
tors. eta vs tors. theta energy: -44.889
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: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -388.374326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.374326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.374326 (E_RNA)
where:
Base-Base interactions energy: -250.726
where: short stacking energy: -122.352
Base-Backbone interact. energy: -0.616
local terms energy: -137.032172
where:
bonds (distance) C4'-P energy: -27.526
bonds (distance) P-C4' energy: -28.987
flat angles C4'-P-C4' energy: -29.976
flat angles P-C4'-P energy: -17.394
tors. eta vs tors. theta energy: -33.149
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: 1
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -356.341163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.341163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.341163 (E_RNA)
where:
Base-Base interactions energy: -224.579
where: short stacking energy: -122.230
Base-Backbone interact. energy: -0.203
local terms energy: -131.559315
where:
bonds (distance) C4'-P energy: -26.113
bonds (distance) P-C4' energy: -23.314
flat angles C4'-P-C4' energy: -28.894
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -36.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -342.561224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.561224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.561224 (E_RNA)
where:
Base-Base interactions energy: -223.235
where: short stacking energy: -123.792
Base-Backbone interact. energy: -0.464
local terms energy: -118.863010
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -23.830
flat angles P-C4'-P energy: -20.246
tors. eta vs tors. theta energy: -32.311
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: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -295.972438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.972438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.972438 (E_RNA)
where:
Base-Base interactions energy: -176.526
where: short stacking energy: -93.738
Base-Backbone interact. energy: 0.313
local terms energy: -119.759535
where:
bonds (distance) C4'-P energy: -27.003
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -24.897
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -27.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -240.712888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.712888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.712888 (E_RNA)
where:
Base-Base interactions energy: -147.794
where: short stacking energy: -77.760
Base-Backbone interact. energy: -1.186
local terms energy: -91.733637
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -22.739
flat angles P-C4'-P energy: -17.243
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -241.309986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.309986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.309986 (E_RNA)
where:
Base-Base interactions energy: -138.588
where: short stacking energy: -89.077
Base-Backbone interact. energy: -0.964
local terms energy: -101.758232
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -26.281
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -15.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -146.084630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.084630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.084630 (E_RNA)
where:
Base-Base interactions energy: -66.864
where: short stacking energy: -55.674
Base-Backbone interact. energy: -0.551
local terms energy: -78.669454
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -148.788021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.788021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.788021 (E_RNA)
where:
Base-Base interactions energy: -58.400
where: short stacking energy: -45.874
Base-Backbone interact. energy: -0.105
local terms energy: -90.283912
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -25.477
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -133.497017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.497017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.497017 (E_RNA)
where:
Base-Base interactions energy: -55.385
where: short stacking energy: -55.385
Base-Backbone interact. energy: 0.554
local terms energy: -78.666066
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -24.692
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -6.733
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -430.084181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.084181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.084181 (E_RNA)
where:
Base-Base interactions energy: -283.910
where: short stacking energy: -143.170
Base-Backbone interact. energy: -0.005
local terms energy: -146.168741
where:
bonds (distance) C4'-P energy: -27.146
bonds (distance) P-C4' energy: -25.850
flat angles C4'-P-C4' energy: -29.772
flat angles P-C4'-P energy: -20.559
tors. eta vs tors. theta energy: -42.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -360.489602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.489602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.489602 (E_RNA)
where:
Base-Base interactions energy: -224.695
where: short stacking energy: -123.112
Base-Backbone interact. energy: 0.665
local terms energy: -136.459616
where:
bonds (distance) C4'-P energy: -27.755
bonds (distance) P-C4' energy: -28.366
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -19.496
tors. eta vs tors. theta energy: -34.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -370.934274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.934274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.934274 (E_RNA)
where:
Base-Base interactions energy: -254.853
where: short stacking energy: -126.101
Base-Backbone interact. energy: -0.031
local terms energy: -116.049990
where:
bonds (distance) C4'-P energy: -24.849
bonds (distance) P-C4' energy: -22.332
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -33.203
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: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -341.663357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.663357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.663357 (E_RNA)
where:
Base-Base interactions energy: -211.314
where: short stacking energy: -108.639
Base-Backbone interact. energy: -0.427
local terms energy: -129.922089
where:
bonds (distance) C4'-P energy: -27.763
bonds (distance) P-C4' energy: -28.268
flat angles C4'-P-C4' energy: -27.113
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -30.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -310.332493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.332493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.332493 (E_RNA)
where:
Base-Base interactions energy: -191.008
where: short stacking energy: -108.560
Base-Backbone interact. energy: 0.158
local terms energy: -119.482488
where:
bonds (distance) C4'-P energy: -21.975
bonds (distance) P-C4' energy: -26.827
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -30.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -250.959994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.959994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.959994 (E_RNA)
where:
Base-Base interactions energy: -144.666
where: short stacking energy: -79.966
Base-Backbone interact. energy: -0.663
local terms energy: -105.631095
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -26.173
flat angles C4'-P-C4' energy: -27.694
flat angles P-C4'-P energy: -18.454
tors. eta vs tors. theta energy: -15.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -249.024277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.024277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.024277 (E_RNA)
where:
Base-Base interactions energy: -151.620
where: short stacking energy: -85.881
Base-Backbone interact. energy: -0.870
local terms energy: -96.534735
where:
bonds (distance) C4'-P energy: -22.215
bonds (distance) P-C4' energy: -23.416
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -17.560
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: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -149.198998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.198998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.198998 (E_RNA)
where:
Base-Base interactions energy: -58.012
where: short stacking energy: -56.179
Base-Backbone interact. energy: -0.153
local terms energy: -91.034305
where:
bonds (distance) C4'-P energy: -23.893
bonds (distance) P-C4' energy: -26.502
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -5.066
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: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -136.697998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.697998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.697998 (E_RNA)
where:
Base-Base interactions energy: -59.182
where: short stacking energy: -54.865
Base-Backbone interact. energy: 0.571
local terms energy: -78.087009
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -23.390
flat angles P-C4'-P energy: -9.261
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: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -129.253885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.253885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.253885 (E_RNA)
where:
Base-Base interactions energy: -47.951
where: short stacking energy: -44.033
Base-Backbone interact. energy: -0.773
local terms energy: -80.530053
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -27.269
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -0.540
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -437.419236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.419236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.419236 (E_RNA)
where:
Base-Base interactions energy: -284.355
where: short stacking energy: -146.370
Base-Backbone interact. energy: -0.637
local terms energy: -152.427280
where:
bonds (distance) C4'-P energy: -25.278
bonds (distance) P-C4' energy: -31.419
flat angles C4'-P-C4' energy: -29.858
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -43.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -372.111375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.111375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.111375 (E_RNA)
where:
Base-Base interactions energy: -234.315
where: short stacking energy: -126.198
Base-Backbone interact. energy: -0.407
local terms energy: -137.389201
where:
bonds (distance) C4'-P energy: -23.240
bonds (distance) P-C4' energy: -26.535
flat angles C4'-P-C4' energy: -29.586
flat angles P-C4'-P energy: -22.987
tors. eta vs tors. theta energy: -35.041
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: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -370.166876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.166876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.166876 (E_RNA)
where:
Base-Base interactions energy: -234.016
where: short stacking energy: -116.228
Base-Backbone interact. energy: -0.334
local terms energy: -135.816852
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -28.374
flat angles C4'-P-C4' energy: -28.806
flat angles P-C4'-P energy: -23.164
tors. eta vs tors. theta energy: -30.961
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: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -342.720683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.720683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.720683 (E_RNA)
where:
Base-Base interactions energy: -204.911
where: short stacking energy: -113.060
Base-Backbone interact. energy: -1.185
local terms energy: -136.624148
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -28.986
flat angles C4'-P-C4' energy: -31.260
flat angles P-C4'-P energy: -21.537
tors. eta vs tors. theta energy: -34.033
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: 3
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -316.499486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.499486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.499486 (E_RNA)
where:
Base-Base interactions energy: -191.212
where: short stacking energy: -98.407
Base-Backbone interact. energy: 0.121
local terms energy: -125.407869
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -29.981
flat angles C4'-P-C4' energy: -23.940
flat angles P-C4'-P energy: -18.251
tors. eta vs tors. theta energy: -33.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -232.215863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.215863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.215863 (E_RNA)
where:
Base-Base interactions energy: -139.026
where: short stacking energy: -75.229
Base-Backbone interact. energy: -0.446
local terms energy: -92.744546
where:
bonds (distance) C4'-P energy: -22.506
bonds (distance) P-C4' energy: -25.942
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -255.677749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.677749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.677749 (E_RNA)
where:
Base-Base interactions energy: -159.645
where: short stacking energy: -83.785
Base-Backbone interact. energy: 0.080
local terms energy: -96.112939
where:
bonds (distance) C4'-P energy: -22.021
bonds (distance) P-C4' energy: -20.684
flat angles C4'-P-C4' energy: -21.391
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -140.859184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.859184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.859184 (E_RNA)
where:
Base-Base interactions energy: -59.565
where: short stacking energy: -59.565
Base-Backbone interact. energy: -0.121
local terms energy: -81.173065
where:
bonds (distance) C4'-P energy: -19.674
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -126.864008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.864008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.864008 (E_RNA)
where:
Base-Base interactions energy: -38.664
where: short stacking energy: -38.222
Base-Backbone interact. energy: 1.779
local terms energy: -89.979321
where:
bonds (distance) C4'-P energy: -28.276
bonds (distance) P-C4' energy: -23.858
flat angles C4'-P-C4' energy: -27.348
flat angles P-C4'-P energy: -9.309
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: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -137.184119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.184119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.184119 (E_RNA)
where:
Base-Base interactions energy: -54.290
where: short stacking energy: -48.640
Base-Backbone interact. energy: -0.379
local terms energy: -82.515018
where:
bonds (distance) C4'-P energy: -24.758
bonds (distance) P-C4' energy: -25.145
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -14.752
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -426.153061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.153061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.153061 (E_RNA)
where:
Base-Base interactions energy: -286.130
where: short stacking energy: -145.686
Base-Backbone interact. energy: -0.046
local terms energy: -139.977048
where:
bonds (distance) C4'-P energy: -27.031
bonds (distance) P-C4' energy: -26.718
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -19.580
tors. eta vs tors. theta energy: -41.152
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: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -383.389583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.389583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.389583 (E_RNA)
where:
Base-Base interactions energy: -262.519
where: short stacking energy: -132.917
Base-Backbone interact. energy: -0.297
local terms energy: -120.573918
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -32.226
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -35.002
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: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -359.923512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.923512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.923512 (E_RNA)
where:
Base-Base interactions energy: -226.541
where: short stacking energy: -119.959
Base-Backbone interact. energy: -0.851
local terms energy: -132.531446
where:
bonds (distance) C4'-P energy: -25.938
bonds (distance) P-C4' energy: -24.905
flat angles C4'-P-C4' energy: -30.525
flat angles P-C4'-P energy: -18.856
tors. eta vs tors. theta energy: -32.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -312.048192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.048192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.048192 (E_RNA)
where:
Base-Base interactions energy: -191.214
where: short stacking energy: -118.461
Base-Backbone interact. energy: 0.228
local terms energy: -121.062434
where:
bonds (distance) C4'-P energy: -23.926
bonds (distance) P-C4' energy: -28.848
flat angles C4'-P-C4' energy: -25.924
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -23.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -326.136585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.136585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.136585 (E_RNA)
where:
Base-Base interactions energy: -202.719
where: short stacking energy: -102.037
Base-Backbone interact. energy: 0.387
local terms energy: -123.803906
where:
bonds (distance) C4'-P energy: -23.785
bonds (distance) P-C4' energy: -27.455
flat angles C4'-P-C4' energy: -27.392
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -30.534
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: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -281.609377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.609377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.609377 (E_RNA)
where:
Base-Base interactions energy: -162.956
where: short stacking energy: -89.284
Base-Backbone interact. energy: -1.627
local terms energy: -117.026283
where:
bonds (distance) C4'-P energy: -21.233
bonds (distance) P-C4' energy: -28.782
flat angles C4'-P-C4' energy: -30.326
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -22.676
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: 5
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -231.668387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.668387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.668387 (E_RNA)
where:
Base-Base interactions energy: -136.804
where: short stacking energy: -68.289
Base-Backbone interact. energy: 0.313
local terms energy: -95.177675
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -16.823
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: 8, replica: 6
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -131.392667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.392667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.392667 (E_RNA)
where:
Base-Base interactions energy: -50.690
where: short stacking energy: -48.682
Base-Backbone interact. energy: 2.263
local terms energy: -82.965441
where:
bonds (distance) C4'-P energy: -22.701
bonds (distance) P-C4' energy: -22.407
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -14.813
tors. eta vs tors. theta energy: -3.839
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: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -130.830938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.830938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.830938 (E_RNA)
where:
Base-Base interactions energy: -45.622
where: short stacking energy: -43.162
Base-Backbone interact. energy: -0.176
local terms energy: -85.033259
where:
bonds (distance) C4'-P energy: -25.615
bonds (distance) P-C4' energy: -26.923
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -2.337
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: 425
Temperature: 1.350000
Total energy: -145.128418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.128418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.128418 (E_RNA)
where:
Base-Base interactions energy: -42.785
where: short stacking energy: -42.785
Base-Backbone interact. energy: -0.608
local terms energy: -101.735371
where:
bonds (distance) C4'-P energy: -25.350
bonds (distance) P-C4' energy: -30.856
flat angles C4'-P-C4' energy: -25.168
flat angles P-C4'-P energy: -16.704
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -390.729231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.729231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.729231 (E_RNA)
where:
Base-Base interactions energy: -259.165
where: short stacking energy: -130.798
Base-Backbone interact. energy: -0.806
local terms energy: -130.758223
where:
bonds (distance) C4'-P energy: -22.890
bonds (distance) P-C4' energy: -19.484
flat angles C4'-P-C4' energy: -31.165
flat angles P-C4'-P energy: -18.064
tors. eta vs tors. theta energy: -39.155
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: 426
Temperature: 0.950000
Total energy: -418.891363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.891363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.891363 (E_RNA)
where:
Base-Base interactions energy: -281.571
where: short stacking energy: -135.805
Base-Backbone interact. energy: -1.071
local terms energy: -136.249446
where:
bonds (distance) C4'-P energy: -26.442
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -30.201
flat angles P-C4'-P energy: -17.071
tors. eta vs tors. theta energy: -42.073
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: 426
Temperature: 1.000000
Total energy: -357.057042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.057042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.057042 (E_RNA)
where:
Base-Base interactions energy: -231.459
where: short stacking energy: -129.651
Base-Backbone interact. energy: -0.046
local terms energy: -125.551859
where:
bonds (distance) C4'-P energy: -21.158
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -29.210
flat angles P-C4'-P energy: -18.253
tors. eta vs tors. theta energy: -34.682
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: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -313.818225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.818225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.818225 (E_RNA)
where:
Base-Base interactions energy: -203.035
where: short stacking energy: -97.765
Base-Backbone interact. energy: -1.017
local terms energy: -109.766178
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -23.391
flat angles C4'-P-C4' energy: -23.769
flat angles P-C4'-P energy: -17.079
tors. eta vs tors. theta energy: -24.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -340.519472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.519472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.519472 (E_RNA)
where:
Base-Base interactions energy: -215.455
where: short stacking energy: -120.368
Base-Backbone interact. energy: -0.077
local terms energy: -124.987360
where:
bonds (distance) C4'-P energy: -25.610
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -24.144
flat angles P-C4'-P energy: -20.581
tors. eta vs tors. theta energy: -36.291
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: 426
Temperature: 1.150000
Total energy: -305.109301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.109301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.109301 (E_RNA)
where:
Base-Base interactions energy: -188.923
where: short stacking energy: -100.744
Base-Backbone interact. energy: -0.103
local terms energy: -116.083814
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -21.155
flat angles C4'-P-C4' energy: -25.671
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -23.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -236.211429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.211429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.211429 (E_RNA)
where:
Base-Base interactions energy: -130.254
where: short stacking energy: -66.605
Base-Backbone interact. energy: -0.038
local terms energy: -105.919244
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -26.999
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -15.615
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: 8, replica: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -149.143098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.143098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.143098 (E_RNA)
where:
Base-Base interactions energy: -51.839
where: short stacking energy: -51.839
Base-Backbone interact. energy: -0.188
local terms energy: -97.116047
where:
bonds (distance) C4'-P energy: -26.558
bonds (distance) P-C4' energy: -30.513
flat angles C4'-P-C4' energy: -24.414
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -4.077
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: 426
Temperature: 1.300000
Total energy: -134.175361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.175361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.175361 (E_RNA)
where:
Base-Base interactions energy: -60.410
where: short stacking energy: -48.895
Base-Backbone interact. energy: -1.383
local terms energy: -72.382330
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -145.248327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.248327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.248327 (E_RNA)
where:
Base-Base interactions energy: -59.731
where: short stacking energy: -58.313
Base-Backbone interact. energy: -0.481
local terms energy: -85.036488
where:
bonds (distance) C4'-P energy: -25.816
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -25.025
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -396.775102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.775102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.775102 (E_RNA)
where:
Base-Base interactions energy: -253.669
where: short stacking energy: -133.364
Base-Backbone interact. energy: -0.863
local terms energy: -142.243445
where:
bonds (distance) C4'-P energy: -26.546
bonds (distance) P-C4' energy: -30.453
flat angles C4'-P-C4' energy: -29.674
flat angles P-C4'-P energy: -21.609
tors. eta vs tors. theta energy: -33.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -410.895085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.895085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.895085 (E_RNA)
where:
Base-Base interactions energy: -277.666
where: short stacking energy: -130.566
Base-Backbone interact. energy: -0.350
local terms energy: -132.878664
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -29.337
flat angles P-C4'-P energy: -16.949
tors. eta vs tors. theta energy: -42.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -340.105103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.105103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.105103 (E_RNA)
where:
Base-Base interactions energy: -216.570
where: short stacking energy: -116.658
Base-Backbone interact. energy: -1.015
local terms energy: -122.519770
where:
bonds (distance) C4'-P energy: -23.914
bonds (distance) P-C4' energy: -27.405
flat angles C4'-P-C4' energy: -25.847
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -28.786
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: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -325.906984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.906984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.906984 (E_RNA)
where:
Base-Base interactions energy: -204.959
where: short stacking energy: -112.756
Base-Backbone interact. energy: -0.067
local terms energy: -120.880913
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -29.821
flat angles C4'-P-C4' energy: -26.763
flat angles P-C4'-P energy: -17.850
tors. eta vs tors. theta energy: -25.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -298.950406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.950406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.950406 (E_RNA)
where:
Base-Base interactions energy: -181.749
where: short stacking energy: -103.992
Base-Backbone interact. energy: -0.776
local terms energy: -116.425494
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -23.579
flat angles C4'-P-C4' energy: -25.920
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -25.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -259.517423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.517423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.517423 (E_RNA)
where:
Base-Base interactions energy: -160.500
where: short stacking energy: -87.943
Base-Backbone interact. energy: -0.826
local terms energy: -98.190653
where:
bonds (distance) C4'-P energy: -24.348
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -22.032
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -271.138277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.138277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.138277 (E_RNA)
where:
Base-Base interactions energy: -159.644
where: short stacking energy: -90.387
Base-Backbone interact. energy: -0.133
local terms energy: -111.360774
where:
bonds (distance) C4'-P energy: -26.894
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -27.966
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -22.478
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: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -158.388326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.388326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.388326 (E_RNA)
where:
Base-Base interactions energy: -62.068
where: short stacking energy: -62.068
Base-Backbone interact. energy: -0.704
local terms energy: -95.615815
where:
bonds (distance) C4'-P energy: -26.927
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -20.105
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -12.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -125.551134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.551134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.551134 (E_RNA)
where:
Base-Base interactions energy: -47.573
where: short stacking energy: -37.807
Base-Backbone interact. energy: -0.254
local terms energy: -77.724643
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -5.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -123.267767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.267767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.267767 (E_RNA)
where:
Base-Base interactions energy: -37.550
where: short stacking energy: -34.923
Base-Backbone interact. energy: 0.806
local terms energy: -86.523527
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -26.548
flat angles P-C4'-P energy: -9.428
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -431.692239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.692239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.692239 (E_RNA)
where:
Base-Base interactions energy: -288.838
where: short stacking energy: -147.711
Base-Backbone interact. energy: 0.058
local terms energy: -142.912029
where:
bonds (distance) C4'-P energy: -22.240
bonds (distance) P-C4' energy: -28.762
flat angles C4'-P-C4' energy: -28.200
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -41.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -391.711589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.711589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.711589 (E_RNA)
where:
Base-Base interactions energy: -260.897
where: short stacking energy: -136.617
Base-Backbone interact. energy: -0.047
local terms energy: -130.767162
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -26.294
flat angles C4'-P-C4' energy: -25.849
flat angles P-C4'-P energy: -22.719
tors. eta vs tors. theta energy: -36.139
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: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -369.013931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.013931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.013931 (E_RNA)
where:
Base-Base interactions energy: -230.442
where: short stacking energy: -121.397
Base-Backbone interact. energy: -1.510
local terms energy: -137.062406
where:
bonds (distance) C4'-P energy: -26.661
bonds (distance) P-C4' energy: -26.799
flat angles C4'-P-C4' energy: -28.804
flat angles P-C4'-P energy: -18.182
tors. eta vs tors. theta energy: -36.617
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: 428
Temperature: 1.050000
Total energy: -351.767601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.767601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.767601 (E_RNA)
where:
Base-Base interactions energy: -217.780
where: short stacking energy: -121.352
Base-Backbone interact. energy: -0.039
local terms energy: -133.948007
where:
bonds (distance) C4'-P energy: -28.364
bonds (distance) P-C4' energy: -25.325
flat angles C4'-P-C4' energy: -26.606
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -33.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -292.810278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.810278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.810278 (E_RNA)
where:
Base-Base interactions energy: -175.633
where: short stacking energy: -86.836
Base-Backbone interact. energy: -0.783
local terms energy: -116.393572
where:
bonds (distance) C4'-P energy: -25.968
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -21.541
tors. eta vs tors. theta energy: -23.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -268.978283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.978283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.978283 (E_RNA)
where:
Base-Base interactions energy: -160.047
where: short stacking energy: -70.472
Base-Backbone interact. energy: -0.511
local terms energy: -108.419851
where:
bonds (distance) C4'-P energy: -24.766
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -25.394
flat angles P-C4'-P energy: -19.320
tors. eta vs tors. theta energy: -17.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -264.554617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.554617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.554617 (E_RNA)
where:
Base-Base interactions energy: -162.017
where: short stacking energy: -89.774
Base-Backbone interact. energy: -0.135
local terms energy: -102.403358
where:
bonds (distance) C4'-P energy: -29.142
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -19.716
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: 8, replica: 6
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -149.654153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.654153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.654153 (E_RNA)
where:
Base-Base interactions energy: -57.883
where: short stacking energy: -57.883
Base-Backbone interact. energy: -0.200
local terms energy: -91.570641
where:
bonds (distance) C4'-P energy: -26.450
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -4.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -146.123609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.123609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.123609 (E_RNA)
where:
Base-Base interactions energy: -61.813
where: short stacking energy: -55.577
Base-Backbone interact. energy: 0.247
local terms energy: -84.557061
where:
bonds (distance) C4'-P energy: -23.992
bonds (distance) P-C4' energy: -22.820
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -111.843132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.843132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.843132 (E_RNA)
where:
Base-Base interactions energy: -35.788
where: short stacking energy: -23.686
Base-Backbone interact. energy: -0.469
local terms energy: -75.586160
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -15.704
tors. eta vs tors. theta energy: 3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -427.679336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.679336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.679336 (E_RNA)
where:
Base-Base interactions energy: -281.112
where: short stacking energy: -150.741
Base-Backbone interact. energy: -0.002
local terms energy: -146.566017
where:
bonds (distance) C4'-P energy: -24.188
bonds (distance) P-C4' energy: -27.156
flat angles C4'-P-C4' energy: -30.854
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -45.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -373.104367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.104367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.104367 (E_RNA)
where:
Base-Base interactions energy: -245.725
where: short stacking energy: -140.499
Base-Backbone interact. energy: -0.626
local terms energy: -126.753006
where:
bonds (distance) C4'-P energy: -22.416
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -27.326
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -39.061
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: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -396.013077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.013077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.013077 (E_RNA)
where:
Base-Base interactions energy: -262.276
where: short stacking energy: -124.788
Base-Backbone interact. energy: -0.030
local terms energy: -133.707201
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -27.135
flat angles C4'-P-C4' energy: -25.587
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -37.096
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: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -343.037137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.037137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.037137 (E_RNA)
where:
Base-Base interactions energy: -217.082
where: short stacking energy: -119.123
Base-Backbone interact. energy: -0.680
local terms energy: -125.276011
where:
bonds (distance) C4'-P energy: -21.763
bonds (distance) P-C4' energy: -28.264
flat angles C4'-P-C4' energy: -26.366
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -26.792
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: 429
Temperature: 1.100000
Total energy: -296.765761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.765761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.765761 (E_RNA)
where:
Base-Base interactions energy: -181.379
where: short stacking energy: -99.485
Base-Backbone interact. energy: -0.595
local terms energy: -114.791711
where:
bonds (distance) C4'-P energy: -24.964
bonds (distance) P-C4' energy: -26.701
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -22.874
tors. eta vs tors. theta energy: -20.941
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: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -275.216308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.216308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.216308 (E_RNA)
where:
Base-Base interactions energy: -173.153
where: short stacking energy: -99.648
Base-Backbone interact. energy: -0.278
local terms energy: -101.784638
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -25.954
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -258.568673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.568673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.568673 (E_RNA)
where:
Base-Base interactions energy: -142.114
where: short stacking energy: -80.611
Base-Backbone interact. energy: -1.034
local terms energy: -115.419917
where:
bonds (distance) C4'-P energy: -24.266
bonds (distance) P-C4' energy: -30.042
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -22.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -148.009722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.009722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.009722 (E_RNA)
where:
Base-Base interactions energy: -51.081
where: short stacking energy: -51.081
Base-Backbone interact. energy: 1.685
local terms energy: -98.613094
where:
bonds (distance) C4'-P energy: -22.466
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -30.123
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -7.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -148.503378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.503378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.503378 (E_RNA)
where:
Base-Base interactions energy: -59.169
where: short stacking energy: -56.287
Base-Backbone interact. energy: -0.798
local terms energy: -88.535789
where:
bonds (distance) C4'-P energy: -26.699
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -27.929
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -9.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -116.186714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.186714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.186714 (E_RNA)
where:
Base-Base interactions energy: -42.831
where: short stacking energy: -42.260
Base-Backbone interact. energy: 0.356
local terms energy: -73.711169
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -433.042356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.042356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.042356 (E_RNA)
where:
Base-Base interactions energy: -301.154
where: short stacking energy: -147.103
Base-Backbone interact. energy: -0.309
local terms energy: -131.579310
where:
bonds (distance) C4'-P energy: -24.129
bonds (distance) P-C4' energy: -24.574
flat angles C4'-P-C4' energy: -27.119
flat angles P-C4'-P energy: -13.942
tors. eta vs tors. theta energy: -41.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -372.271036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.271036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.271036 (E_RNA)
where:
Base-Base interactions energy: -234.622
where: short stacking energy: -137.972
Base-Backbone interact. energy: -0.566
local terms energy: -137.082639
where:
bonds (distance) C4'-P energy: -25.726
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -27.835
flat angles P-C4'-P energy: -23.367
tors. eta vs tors. theta energy: -42.559
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: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -365.909627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.909627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.909627 (E_RNA)
where:
Base-Base interactions energy: -241.720
where: short stacking energy: -114.138
Base-Backbone interact. energy: -0.748
local terms energy: -123.441253
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -25.114
flat angles C4'-P-C4' energy: -27.079
flat angles P-C4'-P energy: -19.249
tors. eta vs tors. theta energy: -31.222
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: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -342.301743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.301743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.301743 (E_RNA)
where:
Base-Base interactions energy: -212.791
where: short stacking energy: -108.133
Base-Backbone interact. energy: 0.236
local terms energy: -129.746926
where:
bonds (distance) C4'-P energy: -25.544
bonds (distance) P-C4' energy: -28.435
flat angles C4'-P-C4' energy: -27.588
flat angles P-C4'-P energy: -19.187
tors. eta vs tors. theta energy: -28.993
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: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -305.227949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.227949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.227949 (E_RNA)
where:
Base-Base interactions energy: -185.975
where: short stacking energy: -89.326
Base-Backbone interact. energy: -0.081
local terms energy: -119.172517
where:
bonds (distance) C4'-P energy: -26.459
bonds (distance) P-C4' energy: -24.769
flat angles C4'-P-C4' energy: -24.832
flat angles P-C4'-P energy: -21.646
tors. eta vs tors. theta energy: -21.467
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: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -273.628259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.628259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.628259 (E_RNA)
where:
Base-Base interactions energy: -171.635
where: short stacking energy: -86.788
Base-Backbone interact. energy: 1.205
local terms energy: -103.198022
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -24.793
flat angles C4'-P-C4' energy: -20.221
flat angles P-C4'-P energy: -20.180
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -278.101018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.101018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.101018 (E_RNA)
where:
Base-Base interactions energy: -168.303
where: short stacking energy: -91.465
Base-Backbone interact. energy: -0.170
local terms energy: -109.628431
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -23.055
flat angles C4'-P-C4' energy: -26.571
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -20.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -142.633252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.633252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.633252 (E_RNA)
where:
Base-Base interactions energy: -49.598
where: short stacking energy: -49.337
Base-Backbone interact. energy: -0.647
local terms energy: -92.388720
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -29.773
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -137.597369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.597369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.597369 (E_RNA)
where:
Base-Base interactions energy: -56.826
where: short stacking energy: -53.495
Base-Backbone interact. energy: -1.623
local terms energy: -79.147869
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -25.412
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -0.660
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: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -135.481200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.481200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.481200 (E_RNA)
where:
Base-Base interactions energy: -56.090
where: short stacking energy: -51.464
Base-Backbone interact. energy: 0.034
local terms energy: -79.425613
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -438.501610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.501610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.501610 (E_RNA)
where:
Base-Base interactions energy: -282.651
where: short stacking energy: -141.917
Base-Backbone interact. energy: -0.524
local terms energy: -155.326969
where:
bonds (distance) C4'-P energy: -29.242
bonds (distance) P-C4' energy: -29.337
flat angles C4'-P-C4' energy: -31.693
flat angles P-C4'-P energy: -22.048
tors. eta vs tors. theta energy: -43.007
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: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -365.282525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.282525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.282525 (E_RNA)
where:
Base-Base interactions energy: -241.045
where: short stacking energy: -114.277
Base-Backbone interact. energy: -0.455
local terms energy: -123.782156
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -25.800
flat angles C4'-P-C4' energy: -25.430
flat angles P-C4'-P energy: -22.070
tors. eta vs tors. theta energy: -32.318
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: 431
Temperature: 1.000000
Total energy: -356.711080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.711080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.711080 (E_RNA)
where:
Base-Base interactions energy: -229.459
where: short stacking energy: -127.563
Base-Backbone interact. energy: -0.559
local terms energy: -126.693364
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -23.949
flat angles C4'-P-C4' energy: -28.323
flat angles P-C4'-P energy: -24.408
tors. eta vs tors. theta energy: -35.637
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: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -345.096207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.096207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.096207 (E_RNA)
where:
Base-Base interactions energy: -214.867
where: short stacking energy: -111.231
Base-Backbone interact. energy: -0.222
local terms energy: -130.008051
where:
bonds (distance) C4'-P energy: -27.121
bonds (distance) P-C4' energy: -24.233
flat angles C4'-P-C4' energy: -30.507
flat angles P-C4'-P energy: -20.299
tors. eta vs tors. theta energy: -27.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -299.394361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.394361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.394361 (E_RNA)
where:
Base-Base interactions energy: -184.309
where: short stacking energy: -107.531
Base-Backbone interact. energy: -0.554
local terms energy: -114.531033
where:
bonds (distance) C4'-P energy: -23.823
bonds (distance) P-C4' energy: -25.979
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -17.594
tors. eta vs tors. theta energy: -28.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -286.789589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.789589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.789589 (E_RNA)
where:
Base-Base interactions energy: -178.080
where: short stacking energy: -99.892
Base-Backbone interact. energy: -0.593
local terms energy: -108.116416
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -23.304
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -18.110
tors. eta vs tors. theta energy: -22.475
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: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -250.122054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.122054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.122054 (E_RNA)
where:
Base-Base interactions energy: -150.092
where: short stacking energy: -71.124
Base-Backbone interact. energy: -0.870
local terms energy: -99.160212
where:
bonds (distance) C4'-P energy: -23.131
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -13.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -139.236579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.236579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.236579 (E_RNA)
where:
Base-Base interactions energy: -51.935
where: short stacking energy: -43.368
Base-Backbone interact. energy: -0.168
local terms energy: -87.132891
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -26.244
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -17.444
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: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -132.507885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.507885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.507885 (E_RNA)
where:
Base-Base interactions energy: -52.869
where: short stacking energy: -44.330
Base-Backbone interact. energy: 0.540
local terms energy: -80.178482
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -24.919
flat angles C4'-P-C4' energy: -23.740
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -133.026990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.026990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.026990 (E_RNA)
where:
Base-Base interactions energy: -54.096
where: short stacking energy: -54.096
Base-Backbone interact. energy: 1.180
local terms energy: -80.110423
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -24.553
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -6.605
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -429.947259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.947259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.947259 (E_RNA)
where:
Base-Base interactions energy: -285.194
where: short stacking energy: -146.907
Base-Backbone interact. energy: -0.136
local terms energy: -144.617486
where:
bonds (distance) C4'-P energy: -26.483
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -27.581
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -44.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -380.157614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.157614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.157614 (E_RNA)
where:
Base-Base interactions energy: -253.954
where: short stacking energy: -108.676
Base-Backbone interact. energy: -0.335
local terms energy: -125.867980
where:
bonds (distance) C4'-P energy: -25.548
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -25.215
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -29.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -328.761181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.761181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.761181 (E_RNA)
where:
Base-Base interactions energy: -204.483
where: short stacking energy: -119.642
Base-Backbone interact. energy: -1.075
local terms energy: -123.203758
where:
bonds (distance) C4'-P energy: -25.533
bonds (distance) P-C4' energy: -27.825
flat angles C4'-P-C4' energy: -28.650
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -31.036
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: 9
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -335.805141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.805141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.805141 (E_RNA)
where:
Base-Base interactions energy: -214.533
where: short stacking energy: -112.951
Base-Backbone interact. energy: -0.471
local terms energy: -120.800968
where:
bonds (distance) C4'-P energy: -25.188
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -25.572
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -30.058
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: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -300.545542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.545542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.545542 (E_RNA)
where:
Base-Base interactions energy: -189.618
where: short stacking energy: -101.779
Base-Backbone interact. energy: -1.195
local terms energy: -109.732107
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -22.884
flat angles C4'-P-C4' energy: -26.444
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -25.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -296.847914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.847914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.847914 (E_RNA)
where:
Base-Base interactions energy: -180.342
where: short stacking energy: -93.916
Base-Backbone interact. energy: -1.112
local terms energy: -115.394420
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -28.999
flat angles C4'-P-C4' energy: -25.923
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -272.250918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.250918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.250918 (E_RNA)
where:
Base-Base interactions energy: -168.929
where: short stacking energy: -89.778
Base-Backbone interact. energy: 0.793
local terms energy: -104.115636
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -26.142
flat angles P-C4'-P energy: -14.277
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: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -145.356410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.356410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.356410 (E_RNA)
where:
Base-Base interactions energy: -56.695
where: short stacking energy: -54.741
Base-Backbone interact. energy: -0.888
local terms energy: -87.773139
where:
bonds (distance) C4'-P energy: -25.383
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -24.706
flat angles P-C4'-P energy: -9.203
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: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -138.869898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.869898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.869898 (E_RNA)
where:
Base-Base interactions energy: -60.569
where: short stacking energy: -58.230
Base-Backbone interact. energy: -0.792
local terms energy: -77.509089
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -24.513
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -131.063596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.063596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.063596 (E_RNA)
where:
Base-Base interactions energy: -44.919
where: short stacking energy: -41.263
Base-Backbone interact. energy: 1.496
local terms energy: -87.640463
where:
bonds (distance) C4'-P energy: -26.582
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -424.949041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.949041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.949041 (E_RNA)
where:
Base-Base interactions energy: -283.912
where: short stacking energy: -149.509
Base-Backbone interact. energy: -0.173
local terms energy: -140.864311
where:
bonds (distance) C4'-P energy: -23.387
bonds (distance) P-C4' energy: -23.404
flat angles C4'-P-C4' energy: -29.793
flat angles P-C4'-P energy: -19.678
tors. eta vs tors. theta energy: -44.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -396.496240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.496240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.496240 (E_RNA)
where:
Base-Base interactions energy: -262.402
where: short stacking energy: -127.174
Base-Backbone interact. energy: -0.412
local terms energy: -133.682074
where:
bonds (distance) C4'-P energy: -24.894
bonds (distance) P-C4' energy: -26.756
flat angles C4'-P-C4' energy: -28.692
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -36.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -360.162448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.162448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.162448 (E_RNA)
where:
Base-Base interactions energy: -223.877
where: short stacking energy: -120.400
Base-Backbone interact. energy: -0.862
local terms energy: -135.423364
where:
bonds (distance) C4'-P energy: -28.638
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -23.804
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -39.637
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: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -324.014270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.014270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.014270 (E_RNA)
where:
Base-Base interactions energy: -202.404
where: short stacking energy: -97.265
Base-Backbone interact. energy: -0.429
local terms energy: -121.181286
where:
bonds (distance) C4'-P energy: -26.268
bonds (distance) P-C4' energy: -25.090
flat angles C4'-P-C4' energy: -23.865
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -28.892
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: 8
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -285.805665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.805665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.805665 (E_RNA)
where:
Base-Base interactions energy: -168.363
where: short stacking energy: -101.425
Base-Backbone interact. energy: -2.164
local terms energy: -115.278881
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -28.979
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -20.214
tors. eta vs tors. theta energy: -23.297
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: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -299.159176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.159176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.159176 (E_RNA)
where:
Base-Base interactions energy: -199.565
where: short stacking energy: -104.698
Base-Backbone interact. energy: -0.456
local terms energy: -99.138734
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -26.302
flat angles C4'-P-C4' energy: -26.429
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -20.635
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: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -268.219861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.219861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.219861 (E_RNA)
where:
Base-Base interactions energy: -165.443
where: short stacking energy: -78.605
Base-Backbone interact. energy: -0.404
local terms energy: -102.373169
where:
bonds (distance) C4'-P energy: -25.229
bonds (distance) P-C4' energy: -27.469
flat angles C4'-P-C4' energy: -24.514
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -142.236223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.236223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.236223 (E_RNA)
where:
Base-Base interactions energy: -57.473
where: short stacking energy: -53.049
Base-Backbone interact. energy: -0.450
local terms energy: -84.312740
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -19.632
tors. eta vs tors. theta energy: -7.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -141.986647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.986647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.986647 (E_RNA)
where:
Base-Base interactions energy: -60.350
where: short stacking energy: -57.021
Base-Backbone interact. energy: -1.115
local terms energy: -80.521852
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -17.444
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -11.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -135.744845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.744845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.744845 (E_RNA)
where:
Base-Base interactions energy: -47.958
where: short stacking energy: -40.732
Base-Backbone interact. energy: -0.918
local terms energy: -86.868966
where:
bonds (distance) C4'-P energy: -27.583
bonds (distance) P-C4' energy: -22.414
flat angles C4'-P-C4' energy: -24.805
flat angles P-C4'-P energy: -12.575
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -409.983434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.983434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.983434 (E_RNA)
where:
Base-Base interactions energy: -269.756
where: short stacking energy: -131.617
Base-Backbone interact. energy: -0.075
local terms energy: -140.152523
where:
bonds (distance) C4'-P energy: -25.677
bonds (distance) P-C4' energy: -24.078
flat angles C4'-P-C4' energy: -31.624
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -37.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -424.694232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.694232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.694232 (E_RNA)
where:
Base-Base interactions energy: -277.969
where: short stacking energy: -137.956
Base-Backbone interact. energy: -0.409
local terms energy: -146.316710
where:
bonds (distance) C4'-P energy: -25.454
bonds (distance) P-C4' energy: -25.463
flat angles C4'-P-C4' energy: -29.083
flat angles P-C4'-P energy: -24.715
tors. eta vs tors. theta energy: -41.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -366.919893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.919893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.919893 (E_RNA)
where:
Base-Base interactions energy: -232.549
where: short stacking energy: -137.110
Base-Backbone interact. energy: -0.786
local terms energy: -133.584918
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -26.123
flat angles P-C4'-P energy: -20.547
tors. eta vs tors. theta energy: -41.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -348.534365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.534365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.534365 (E_RNA)
where:
Base-Base interactions energy: -218.463
where: short stacking energy: -125.591
Base-Backbone interact. energy: -0.458
local terms energy: -129.614096
where:
bonds (distance) C4'-P energy: -22.373
bonds (distance) P-C4' energy: -24.033
flat angles C4'-P-C4' energy: -27.874
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -35.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -301.563990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.563990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.563990 (E_RNA)
where:
Base-Base interactions energy: -183.863
where: short stacking energy: -102.324
Base-Backbone interact. energy: -0.634
local terms energy: -117.067133
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -23.549
flat angles C4'-P-C4' energy: -28.986
flat angles P-C4'-P energy: -23.055
tors. eta vs tors. theta energy: -23.543
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: 6, replica: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -268.118242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.118242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.118242 (E_RNA)
where:
Base-Base interactions energy: -164.721
where: short stacking energy: -90.194
Base-Backbone interact. energy: 1.304
local terms energy: -104.700993
where:
bonds (distance) C4'-P energy: -20.973
bonds (distance) P-C4' energy: -23.552
flat angles C4'-P-C4' energy: -23.618
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -269.036344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.036344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.036344 (E_RNA)
where:
Base-Base interactions energy: -172.150
where: short stacking energy: -91.602
Base-Backbone interact. energy: -1.508
local terms energy: -95.378281
where:
bonds (distance) C4'-P energy: -28.057
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -25.668
flat angles P-C4'-P energy: -14.717
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: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -158.760358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.760358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.760358 (E_RNA)
where:
Base-Base interactions energy: -63.715
where: short stacking energy: -49.804
Base-Backbone interact. energy: -0.253
local terms energy: -94.793070
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -26.338
flat angles C4'-P-C4' energy: -25.303
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -4.292
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: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -126.900750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.900750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.900750 (E_RNA)
where:
Base-Base interactions energy: -48.524
where: short stacking energy: -45.214
Base-Backbone interact. energy: -0.395
local terms energy: -77.981135
where:
bonds (distance) C4'-P energy: -22.235
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -20.965
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -119.059736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.059736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.059736 (E_RNA)
where:
Base-Base interactions energy: -46.969
where: short stacking energy: -41.752
Base-Backbone interact. energy: -0.819
local terms energy: -71.271779
where:
bonds (distance) C4'-P energy: -23.234
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: 4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -399.863237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.863237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.863237 (E_RNA)
where:
Base-Base interactions energy: -273.139
where: short stacking energy: -127.393
Base-Backbone interact. energy: -0.017
local terms energy: -126.707560
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -22.765
flat angles C4'-P-C4' energy: -28.752
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -32.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -379.050483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.050483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.050483 (E_RNA)
where:
Base-Base interactions energy: -240.251
where: short stacking energy: -142.938
Base-Backbone interact. energy: -1.602
local terms energy: -137.197384
where:
bonds (distance) C4'-P energy: -23.169
bonds (distance) P-C4' energy: -21.975
flat angles C4'-P-C4' energy: -27.738
flat angles P-C4'-P energy: -19.873
tors. eta vs tors. theta energy: -44.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -410.581037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.581037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.581037 (E_RNA)
where:
Base-Base interactions energy: -264.195
where: short stacking energy: -138.055
Base-Backbone interact. energy: -0.599
local terms energy: -145.787119
where:
bonds (distance) C4'-P energy: -29.883
bonds (distance) P-C4' energy: -23.647
flat angles C4'-P-C4' energy: -31.638
flat angles P-C4'-P energy: -19.550
tors. eta vs tors. theta energy: -41.070
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: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -332.013870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.013870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.013870 (E_RNA)
where:
Base-Base interactions energy: -224.427
where: short stacking energy: -109.894
Base-Backbone interact. energy: 0.885
local terms energy: -108.472757
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -27.828
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -23.353
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: 435
Temperature: 1.100000
Total energy: -337.117649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.117649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.117649 (E_RNA)
where:
Base-Base interactions energy: -209.329
where: short stacking energy: -106.173
Base-Backbone interact. energy: -1.098
local terms energy: -126.690573
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -30.296
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -31.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -291.263429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.263429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.263429 (E_RNA)
where:
Base-Base interactions energy: -176.838
where: short stacking energy: -98.483
Base-Backbone interact. energy: -0.868
local terms energy: -113.557955
where:
bonds (distance) C4'-P energy: -23.090
bonds (distance) P-C4' energy: -27.781
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -17.832
tors. eta vs tors. theta energy: -24.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -278.151322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.151322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.151322 (E_RNA)
where:
Base-Base interactions energy: -162.696
where: short stacking energy: -85.574
Base-Backbone interact. energy: -0.839
local terms energy: -114.616353
where:
bonds (distance) C4'-P energy: -25.740
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -26.638
flat angles P-C4'-P energy: -16.783
tors. eta vs tors. theta energy: -25.199
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: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -140.754748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.754748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.754748 (E_RNA)
where:
Base-Base interactions energy: -58.158
where: short stacking energy: -55.797
Base-Backbone interact. energy: 0.579
local terms energy: -83.175395
where:
bonds (distance) C4'-P energy: -24.307
bonds (distance) P-C4' energy: -27.042
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -11.810
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: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -126.153294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.153294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.153294 (E_RNA)
where:
Base-Base interactions energy: -45.685
where: short stacking energy: -42.591
Base-Backbone interact. energy: -1.276
local terms energy: -79.192621
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -21.934
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -118.254149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.254149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.254149 (E_RNA)
where:
Base-Base interactions energy: -47.123
where: short stacking energy: -41.445
Base-Backbone interact. energy: -1.297
local terms energy: -69.833974
where:
bonds (distance) C4'-P energy: -21.136
bonds (distance) P-C4' energy: -25.855
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -7.663
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -387.888379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.888379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.888379 (E_RNA)
where:
Base-Base interactions energy: -237.197
where: short stacking energy: -138.516
Base-Backbone interact. energy: -1.246
local terms energy: -149.445111
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -27.443
flat angles C4'-P-C4' energy: -28.966
flat angles P-C4'-P energy: -23.668
tors. eta vs tors. theta energy: -44.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -391.622837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.622837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.622837 (E_RNA)
where:
Base-Base interactions energy: -263.125
where: short stacking energy: -123.547
Base-Backbone interact. energy: -0.380
local terms energy: -128.117844
where:
bonds (distance) C4'-P energy: -26.392
bonds (distance) P-C4' energy: -25.525
flat angles C4'-P-C4' energy: -21.717
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -37.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -412.626107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.626107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.626107 (E_RNA)
where:
Base-Base interactions energy: -282.197
where: short stacking energy: -142.916
Base-Backbone interact. energy: -0.406
local terms energy: -130.023381
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -28.500
flat angles P-C4'-P energy: -19.236
tors. eta vs tors. theta energy: -39.182
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: 436
Temperature: 1.050000
Total energy: -323.417032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.417032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.417032 (E_RNA)
where:
Base-Base interactions energy: -201.943
where: short stacking energy: -104.652
Base-Backbone interact. energy: -2.906
local terms energy: -118.567465
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -28.782
flat angles C4'-P-C4' energy: -22.924
flat angles P-C4'-P energy: -20.444
tors. eta vs tors. theta energy: -26.580
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: 436
Temperature: 1.100000
Total energy: -305.095205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.095205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.095205 (E_RNA)
where:
Base-Base interactions energy: -184.060
where: short stacking energy: -113.622
Base-Backbone interact. energy: 0.337
local terms energy: -121.372038
where:
bonds (distance) C4'-P energy: -20.296
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -25.010
tors. eta vs tors. theta energy: -32.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -312.061133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.061133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.061133 (E_RNA)
where:
Base-Base interactions energy: -192.673
where: short stacking energy: -98.518
Base-Backbone interact. energy: -0.048
local terms energy: -119.339742
where:
bonds (distance) C4'-P energy: -21.782
bonds (distance) P-C4' energy: -26.606
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -17.003
tors. eta vs tors. theta energy: -30.478
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: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -268.874875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.874875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.874875 (E_RNA)
where:
Base-Base interactions energy: -164.184
where: short stacking energy: -90.313
Base-Backbone interact. energy: 0.480
local terms energy: -105.170789
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -19.469
flat angles C4'-P-C4' energy: -26.342
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -21.217
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: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -142.144726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.144726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.144726 (E_RNA)
where:
Base-Base interactions energy: -67.399
where: short stacking energy: -49.254
Base-Backbone interact. energy: 0.327
local terms energy: -75.072852
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -125.954356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.954356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.954356 (E_RNA)
where:
Base-Base interactions energy: -57.344
where: short stacking energy: -47.479
Base-Backbone interact. energy: 0.059
local terms energy: -68.669272
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -14.858
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: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -137.370021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.370021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.370021 (E_RNA)
where:
Base-Base interactions energy: -51.662
where: short stacking energy: -50.601
Base-Backbone interact. energy: -0.442
local terms energy: -85.266320
where:
bonds (distance) C4'-P energy: -22.018
bonds (distance) P-C4' energy: -25.688
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -10.877
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -382.162722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.162722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.162722 (E_RNA)
where:
Base-Base interactions energy: -237.536
where: short stacking energy: -135.317
Base-Backbone interact. energy: -0.724
local terms energy: -143.902523
where:
bonds (distance) C4'-P energy: -23.611
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -32.225
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: -42.814
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: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -423.722274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.722274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.722274 (E_RNA)
where:
Base-Base interactions energy: -284.340
where: short stacking energy: -139.736
Base-Backbone interact. energy: -1.755
local terms energy: -137.627120
where:
bonds (distance) C4'-P energy: -26.712
bonds (distance) P-C4' energy: -26.152
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -21.964
tors. eta vs tors. theta energy: -41.235
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: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -401.347821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.347821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.347821 (E_RNA)
where:
Base-Base interactions energy: -261.083
where: short stacking energy: -120.787
Base-Backbone interact. energy: 0.211
local terms energy: -140.475779
where:
bonds (distance) C4'-P energy: -26.001
bonds (distance) P-C4' energy: -23.969
flat angles C4'-P-C4' energy: -30.845
flat angles P-C4'-P energy: -23.119
tors. eta vs tors. theta energy: -36.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -316.024263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.024263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.024263 (E_RNA)
where:
Base-Base interactions energy: -214.314
where: short stacking energy: -111.703
Base-Backbone interact. energy: -1.543
local terms energy: -100.166813
where:
bonds (distance) C4'-P energy: -21.739
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -25.131
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -23.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -301.532884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.532884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.532884 (E_RNA)
where:
Base-Base interactions energy: -182.761
where: short stacking energy: -106.289
Base-Backbone interact. energy: -0.035
local terms energy: -118.736724
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -29.857
flat angles P-C4'-P energy: -18.758
tors. eta vs tors. theta energy: -26.864
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: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -321.100006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.100006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.100006 (E_RNA)
where:
Base-Base interactions energy: -205.115
where: short stacking energy: -109.817
Base-Backbone interact. energy: -1.172
local terms energy: -114.813019
where:
bonds (distance) C4'-P energy: -26.185
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -25.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -263.239244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.239244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.239244 (E_RNA)
where:
Base-Base interactions energy: -155.763
where: short stacking energy: -89.357
Base-Backbone interact. energy: -0.832
local terms energy: -106.643921
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -28.686
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -28.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -152.628263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.628263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.628263 (E_RNA)
where:
Base-Base interactions energy: -65.911
where: short stacking energy: -45.857
Base-Backbone interact. energy: -0.855
local terms energy: -85.862023
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -25.241
flat angles C4'-P-C4' energy: -22.325
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -1.039
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: 10
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -132.646915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.646915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.646915 (E_RNA)
where:
Base-Base interactions energy: -56.085
where: short stacking energy: -49.408
Base-Backbone interact. energy: 4.213
local terms energy: -80.774101
where:
bonds (distance) C4'-P energy: -19.448
bonds (distance) P-C4' energy: -27.654
flat angles C4'-P-C4' energy: -25.216
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: 6.356
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: 437
Temperature: 1.350000
Total energy: -119.897437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.897437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.897437 (E_RNA)
where:
Base-Base interactions energy: -37.676
where: short stacking energy: -37.676
Base-Backbone interact. energy: -0.229
local terms energy: -81.991970
where:
bonds (distance) C4'-P energy: -20.911
bonds (distance) P-C4' energy: -24.206
flat angles C4'-P-C4' energy: -25.447
flat angles P-C4'-P energy: -9.338
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -426.901000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.901000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.901000 (E_RNA)
where:
Base-Base interactions energy: -284.968
where: short stacking energy: -140.266
Base-Backbone interact. energy: -0.231
local terms energy: -141.702018
where:
bonds (distance) C4'-P energy: -23.169
bonds (distance) P-C4' energy: -23.927
flat angles C4'-P-C4' energy: -30.083
flat angles P-C4'-P energy: -21.815
tors. eta vs tors. theta energy: -42.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -358.046258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.046258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.046258 (E_RNA)
where:
Base-Base interactions energy: -216.923
where: short stacking energy: -120.256
Base-Backbone interact. energy: -0.328
local terms energy: -140.795510
where:
bonds (distance) C4'-P energy: -29.494
bonds (distance) P-C4' energy: -24.513
flat angles C4'-P-C4' energy: -29.150
flat angles P-C4'-P energy: -22.707
tors. eta vs tors. theta energy: -34.931
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: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -400.277667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.277667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.277667 (E_RNA)
where:
Base-Base interactions energy: -262.239
where: short stacking energy: -137.429
Base-Backbone interact. energy: -1.202
local terms energy: -136.837126
where:
bonds (distance) C4'-P energy: -23.532
bonds (distance) P-C4' energy: -27.069
flat angles C4'-P-C4' energy: -29.139
flat angles P-C4'-P energy: -19.667
tors. eta vs tors. theta energy: -37.431
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: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -314.553988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.553988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.553988 (E_RNA)
where:
Base-Base interactions energy: -193.535
where: short stacking energy: -108.186
Base-Backbone interact. energy: -0.514
local terms energy: -120.505913
where:
bonds (distance) C4'-P energy: -27.213
bonds (distance) P-C4' energy: -23.598
flat angles C4'-P-C4' energy: -25.367
flat angles P-C4'-P energy: -17.182
tors. eta vs tors. theta energy: -27.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -333.053328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.053328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.053328 (E_RNA)
where:
Base-Base interactions energy: -208.510
where: short stacking energy: -114.310
Base-Backbone interact. energy: -0.510
local terms energy: -124.033638
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -26.575
flat angles C4'-P-C4' energy: -26.339
flat angles P-C4'-P energy: -18.555
tors. eta vs tors. theta energy: -31.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -262.156119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.156119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.156119 (E_RNA)
where:
Base-Base interactions energy: -155.315
where: short stacking energy: -88.071
Base-Backbone interact. energy: -0.389
local terms energy: -106.452296
where:
bonds (distance) C4'-P energy: -20.449
bonds (distance) P-C4' energy: -25.602
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -31.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -235.781035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.781035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.781035 (E_RNA)
where:
Base-Base interactions energy: -140.164
where: short stacking energy: -78.596
Base-Backbone interact. energy: -0.768
local terms energy: -94.848343
where:
bonds (distance) C4'-P energy: -22.784
bonds (distance) P-C4' energy: -25.877
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -9.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -160.383206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.383206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.383206 (E_RNA)
where:
Base-Base interactions energy: -83.348
where: short stacking energy: -43.823
Base-Backbone interact. energy: -0.726
local terms energy: -76.309061
where:
bonds (distance) C4'-P energy: -22.461
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: 2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -137.194642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.194642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.194642 (E_RNA)
where:
Base-Base interactions energy: -57.561
where: short stacking energy: -52.669
Base-Backbone interact. energy: -0.533
local terms energy: -79.100532
where:
bonds (distance) C4'-P energy: -23.221
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -21.915
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -6.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -123.275413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.275413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.275413 (E_RNA)
where:
Base-Base interactions energy: -44.436
where: short stacking energy: -40.857
Base-Backbone interact. energy: -0.537
local terms energy: -78.302867
where:
bonds (distance) C4'-P energy: -23.478
bonds (distance) P-C4' energy: -24.217
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -12.770
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -427.465454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.465454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.465454 (E_RNA)
where:
Base-Base interactions energy: -276.229
where: short stacking energy: -140.492
Base-Backbone interact. energy: -0.157
local terms energy: -151.079317
where:
bonds (distance) C4'-P energy: -28.536
bonds (distance) P-C4' energy: -29.887
flat angles C4'-P-C4' energy: -29.127
flat angles P-C4'-P energy: -21.014
tors. eta vs tors. theta energy: -42.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -404.764426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.764426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.764426 (E_RNA)
where:
Base-Base interactions energy: -273.530
where: short stacking energy: -139.220
Base-Backbone interact. energy: -0.594
local terms energy: -130.640729
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -24.597
flat angles C4'-P-C4' energy: -27.049
flat angles P-C4'-P energy: -22.905
tors. eta vs tors. theta energy: -34.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -343.493791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.493791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.493791 (E_RNA)
where:
Base-Base interactions energy: -210.897
where: short stacking energy: -111.968
Base-Backbone interact. energy: -0.960
local terms energy: -131.637520
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -29.357
flat angles C4'-P-C4' energy: -31.336
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -31.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -341.581334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.581334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.581334 (E_RNA)
where:
Base-Base interactions energy: -210.963
where: short stacking energy: -115.913
Base-Backbone interact. energy: 0.255
local terms energy: -130.872988
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -27.220
flat angles C4'-P-C4' energy: -27.410
flat angles P-C4'-P energy: -23.417
tors. eta vs tors. theta energy: -31.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -303.375203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.375203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.375203 (E_RNA)
where:
Base-Base interactions energy: -199.950
where: short stacking energy: -107.275
Base-Backbone interact. energy: -0.901
local terms energy: -102.523752
where:
bonds (distance) C4'-P energy: -27.165
bonds (distance) P-C4' energy: -21.646
flat angles C4'-P-C4' energy: -24.223
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -16.905
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: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -298.973759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.973759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.973759 (E_RNA)
where:
Base-Base interactions energy: -186.588
where: short stacking energy: -105.049
Base-Backbone interact. energy: 0.496
local terms energy: -112.881676
where:
bonds (distance) C4'-P energy: -25.131
bonds (distance) P-C4' energy: -27.773
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -26.249
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: 3
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -274.400076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.400076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.400076 (E_RNA)
where:
Base-Base interactions energy: -174.543
where: short stacking energy: -90.649
Base-Backbone interact. energy: 0.856
local terms energy: -100.713381
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -25.807
flat angles P-C4'-P energy: -21.154
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -149.384976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.384976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.384976 (E_RNA)
where:
Base-Base interactions energy: -57.353
where: short stacking energy: -55.809
Base-Backbone interact. energy: -0.075
local terms energy: -91.956675
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -27.950
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -10.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -130.975345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.975345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.975345 (E_RNA)
where:
Base-Base interactions energy: -48.246
where: short stacking energy: -40.072
Base-Backbone interact. energy: 0.092
local terms energy: -82.821460
where:
bonds (distance) C4'-P energy: -23.433
bonds (distance) P-C4' energy: -27.107
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -123.822428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.822428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.822428 (E_RNA)
where:
Base-Base interactions energy: -45.164
where: short stacking energy: -40.568
Base-Backbone interact. energy: -0.324
local terms energy: -78.334713
where:
bonds (distance) C4'-P energy: -22.054
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -423.442749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.442749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.442749 (E_RNA)
where:
Base-Base interactions energy: -286.653
where: short stacking energy: -145.044
Base-Backbone interact. energy: -0.001
local terms energy: -136.788789
where:
bonds (distance) C4'-P energy: -28.150
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -28.383
flat angles P-C4'-P energy: -17.703
tors. eta vs tors. theta energy: -40.205
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: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -388.321267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.321267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.321267 (E_RNA)
where:
Base-Base interactions energy: -261.916
where: short stacking energy: -119.477
Base-Backbone interact. energy: -1.145
local terms energy: -125.260905
where:
bonds (distance) C4'-P energy: -22.176
bonds (distance) P-C4' energy: -31.017
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -33.517
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: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -347.181125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.181125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.181125 (E_RNA)
where:
Base-Base interactions energy: -229.132
where: short stacking energy: -118.662
Base-Backbone interact. energy: -0.669
local terms energy: -117.379980
where:
bonds (distance) C4'-P energy: -24.989
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -22.623
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -28.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -329.740908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.740908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.740908 (E_RNA)
where:
Base-Base interactions energy: -205.872
where: short stacking energy: -113.711
Base-Backbone interact. energy: -0.266
local terms energy: -123.602268
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -31.937
flat angles C4'-P-C4' energy: -24.335
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -31.492
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: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -307.422677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.422677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.422677 (E_RNA)
where:
Base-Base interactions energy: -191.134
where: short stacking energy: -100.504
Base-Backbone interact. energy: -0.439
local terms energy: -115.849502
where:
bonds (distance) C4'-P energy: -25.052
bonds (distance) P-C4' energy: -24.429
flat angles C4'-P-C4' energy: -22.090
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -27.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -248.989604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.989604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.989604 (E_RNA)
where:
Base-Base interactions energy: -156.114
where: short stacking energy: -94.404
Base-Backbone interact. energy: -0.385
local terms energy: -92.491296
where:
bonds (distance) C4'-P energy: -21.827
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -16.300
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: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -268.596019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.596019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.596019 (E_RNA)
where:
Base-Base interactions energy: -162.066
where: short stacking energy: -90.419
Base-Backbone interact. energy: -0.869
local terms energy: -105.660917
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -26.442
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -20.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -125.808276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.808276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.808276 (E_RNA)
where:
Base-Base interactions energy: -44.534
where: short stacking energy: -44.534
Base-Backbone interact. energy: -0.712
local terms energy: -80.563144
where:
bonds (distance) C4'-P energy: -27.903
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: 0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -146.724944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.724944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.724944 (E_RNA)
where:
Base-Base interactions energy: -66.704
where: short stacking energy: -42.791
Base-Backbone interact. energy: 1.140
local terms energy: -81.161209
where:
bonds (distance) C4'-P energy: -24.318
bonds (distance) P-C4' energy: -25.049
flat angles C4'-P-C4' energy: -20.197
flat angles P-C4'-P energy: -11.988
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: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -113.459481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.459481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.459481 (E_RNA)
where:
Base-Base interactions energy: -39.636
where: short stacking energy: -31.332
Base-Backbone interact. energy: -0.489
local terms energy: -73.333815
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -12.141
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -429.506658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.506658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.506658 (E_RNA)
where:
Base-Base interactions energy: -285.702
where: short stacking energy: -144.235
Base-Backbone interact. energy: -0.659
local terms energy: -143.145640
where:
bonds (distance) C4'-P energy: -27.966
bonds (distance) P-C4' energy: -23.449
flat angles C4'-P-C4' energy: -28.333
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -42.409
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: 9
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -349.284718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.284718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.284718 (E_RNA)
where:
Base-Base interactions energy: -221.227
where: short stacking energy: -118.171
Base-Backbone interact. energy: -0.744
local terms energy: -127.312978
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -29.228
flat angles C4'-P-C4' energy: -27.067
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -30.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -377.677394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.677394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.677394 (E_RNA)
where:
Base-Base interactions energy: -252.624
where: short stacking energy: -126.743
Base-Backbone interact. energy: -0.357
local terms energy: -124.695963
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -28.738
flat angles C4'-P-C4' energy: -27.468
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -31.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -350.636275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.636275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.636275 (E_RNA)
where:
Base-Base interactions energy: -218.324
where: short stacking energy: -118.015
Base-Backbone interact. energy: -0.851
local terms energy: -131.460801
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -26.252
flat angles C4'-P-C4' energy: -29.126
flat angles P-C4'-P energy: -17.639
tors. eta vs tors. theta energy: -37.658
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: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -305.865750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.865750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.865750 (E_RNA)
where:
Base-Base interactions energy: -189.666
where: short stacking energy: -111.976
Base-Backbone interact. energy: 0.606
local terms energy: -116.805377
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -24.975
flat angles P-C4'-P energy: -16.463
tors. eta vs tors. theta energy: -31.197
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: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -271.493057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.493057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.493057 (E_RNA)
where:
Base-Base interactions energy: -160.967
where: short stacking energy: -98.002
Base-Backbone interact. energy: 0.435
local terms energy: -110.961638
where:
bonds (distance) C4'-P energy: -19.318
bonds (distance) P-C4' energy: -23.622
flat angles C4'-P-C4' energy: -27.510
flat angles P-C4'-P energy: -18.850
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -239.440580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.440580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.440580 (E_RNA)
where:
Base-Base interactions energy: -137.681
where: short stacking energy: -70.604
Base-Backbone interact. energy: -0.231
local terms energy: -101.528517
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -28.033
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -16.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -199.342715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.342715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.342715 (E_RNA)
where:
Base-Base interactions energy: -108.732
where: short stacking energy: -67.752
Base-Backbone interact. energy: 0.865
local terms energy: -91.475778
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -25.194
flat angles C4'-P-C4' energy: -24.482
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -129.897464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.897464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.897464 (E_RNA)
where:
Base-Base interactions energy: -48.892
where: short stacking energy: -36.326
Base-Backbone interact. energy: 1.810
local terms energy: -82.815606
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -27.188
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -121.869425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.869425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.869425 (E_RNA)
where:
Base-Base interactions energy: -54.664
where: short stacking energy: -37.074
Base-Backbone interact. energy: 1.841
local terms energy: -69.047021
where:
bonds (distance) C4'-P energy: -22.067
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -426.940630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.940630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.940630 (E_RNA)
where:
Base-Base interactions energy: -282.493
where: short stacking energy: -141.464
Base-Backbone interact. energy: -1.187
local terms energy: -143.260679
where:
bonds (distance) C4'-P energy: -24.849
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -30.098
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -41.482
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: 2, replica: 9
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -351.593543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.593543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.593543 (E_RNA)
where:
Base-Base interactions energy: -222.620
where: short stacking energy: -121.681
Base-Backbone interact. energy: -0.227
local terms energy: -128.746079
where:
bonds (distance) C4'-P energy: -22.338
bonds (distance) P-C4' energy: -27.186
flat angles C4'-P-C4' energy: -29.407
flat angles P-C4'-P energy: -17.835
tors. eta vs tors. theta energy: -31.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -378.352292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.352292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.352292 (E_RNA)
where:
Base-Base interactions energy: -251.720
where: short stacking energy: -124.083
Base-Backbone interact. energy: -1.290
local terms energy: -125.342649
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -27.303
flat angles C4'-P-C4' energy: -27.451
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -34.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -347.094283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.094283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.094283 (E_RNA)
where:
Base-Base interactions energy: -222.157
where: short stacking energy: -124.624
Base-Backbone interact. energy: -0.012
local terms energy: -124.925422
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -22.670
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -19.357
tors. eta vs tors. theta energy: -35.258
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: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -294.057261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.057261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.057261 (E_RNA)
where:
Base-Base interactions energy: -183.498
where: short stacking energy: -104.231
Base-Backbone interact. energy: -0.045
local terms energy: -110.513579
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -27.853
flat angles P-C4'-P energy: -17.090
tors. eta vs tors. theta energy: -21.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -275.697582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.697582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.697582 (E_RNA)
where:
Base-Base interactions energy: -162.532
where: short stacking energy: -81.628
Base-Backbone interact. energy: -0.622
local terms energy: -112.542783
where:
bonds (distance) C4'-P energy: -26.269
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -28.626
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: -19.284
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: 442
Temperature: 1.200000
Total energy: -245.046316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.046316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.046316 (E_RNA)
where:
Base-Base interactions energy: -144.079
where: short stacking energy: -96.030
Base-Backbone interact. energy: -0.112
local terms energy: -100.854602
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -22.798
flat angles P-C4'-P energy: -16.855
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -212.014199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.014199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.014199 (E_RNA)
where:
Base-Base interactions energy: -107.933
where: short stacking energy: -67.733
Base-Backbone interact. energy: 0.461
local terms energy: -104.542647
where:
bonds (distance) C4'-P energy: -23.805
bonds (distance) P-C4' energy: -28.692
flat angles C4'-P-C4' energy: -23.140
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: -12.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -136.037354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.037354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.037354 (E_RNA)
where:
Base-Base interactions energy: -53.980
where: short stacking energy: -44.307
Base-Backbone interact. energy: 1.824
local terms energy: -83.881904
where:
bonds (distance) C4'-P energy: -22.605
bonds (distance) P-C4' energy: -27.114
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -3.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -132.967480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.967480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.967480 (E_RNA)
where:
Base-Base interactions energy: -48.939
where: short stacking energy: -48.569
Base-Backbone interact. energy: -0.336
local terms energy: -83.691939
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -21.664
flat angles C4'-P-C4' energy: -23.835
flat angles P-C4'-P energy: -13.154
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -412.561287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.561287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.561287 (E_RNA)
where:
Base-Base interactions energy: -272.496
where: short stacking energy: -135.955
Base-Backbone interact. energy: -0.263
local terms energy: -139.802947
where:
bonds (distance) C4'-P energy: -25.287
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -27.653
flat angles P-C4'-P energy: -20.803
tors. eta vs tors. theta energy: -43.627
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: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -395.174961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.174961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.174961 (E_RNA)
where:
Base-Base interactions energy: -258.974
where: short stacking energy: -130.860
Base-Backbone interact. energy: -1.204
local terms energy: -134.996964
where:
bonds (distance) C4'-P energy: -23.535
bonds (distance) P-C4' energy: -26.129
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -19.583
tors. eta vs tors. theta energy: -37.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -341.764873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.764873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.764873 (E_RNA)
where:
Base-Base interactions energy: -216.592
where: short stacking energy: -119.436
Base-Backbone interact. energy: -0.562
local terms energy: -124.610632
where:
bonds (distance) C4'-P energy: -21.344
bonds (distance) P-C4' energy: -23.503
flat angles C4'-P-C4' energy: -26.086
flat angles P-C4'-P energy: -18.170
tors. eta vs tors. theta energy: -35.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -337.191278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.191278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.191278 (E_RNA)
where:
Base-Base interactions energy: -207.550
where: short stacking energy: -109.680
Base-Backbone interact. energy: -0.023
local terms energy: -129.618230
where:
bonds (distance) C4'-P energy: -22.409
bonds (distance) P-C4' energy: -25.782
flat angles C4'-P-C4' energy: -27.278
flat angles P-C4'-P energy: -19.208
tors. eta vs tors. theta energy: -34.941
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: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -301.074475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.074475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.074475 (E_RNA)
where:
Base-Base interactions energy: -181.191
where: short stacking energy: -97.967
Base-Backbone interact. energy: -1.179
local terms energy: -118.704418
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -29.711
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -28.538
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: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -288.961941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.961941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.961941 (E_RNA)
where:
Base-Base interactions energy: -164.435
where: short stacking energy: -94.842
Base-Backbone interact. energy: -0.783
local terms energy: -123.743217
where:
bonds (distance) C4'-P energy: -24.141
bonds (distance) P-C4' energy: -27.939
flat angles C4'-P-C4' energy: -26.048
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -31.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -257.861280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.861280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.861280 (E_RNA)
where:
Base-Base interactions energy: -161.070
where: short stacking energy: -99.628
Base-Backbone interact. energy: -0.247
local terms energy: -96.544576
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -24.442
flat angles C4'-P-C4' energy: -23.918
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -22.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -127.770853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.770853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.770853 (E_RNA)
where:
Base-Base interactions energy: -57.713
where: short stacking energy: -49.793
Base-Backbone interact. energy: -0.057
local terms energy: -70.000553
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -17.688
tors. eta vs tors. theta energy: 4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -213.590101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.590101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.590101 (E_RNA)
where:
Base-Base interactions energy: -133.308
where: short stacking energy: -67.757
Base-Backbone interact. energy: -0.299
local terms energy: -79.983537
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -28.117
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -6.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -133.720326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.720326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.720326 (E_RNA)
where:
Base-Base interactions energy: -49.969
where: short stacking energy: -49.960
Base-Backbone interact. energy: 0.270
local terms energy: -84.021332
where:
bonds (distance) C4'-P energy: -20.705
bonds (distance) P-C4' energy: -29.464
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -437.029207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.029207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.029207 (E_RNA)
where:
Base-Base interactions energy: -290.901
where: short stacking energy: -142.826
Base-Backbone interact. energy: -0.576
local terms energy: -145.552441
where:
bonds (distance) C4'-P energy: -24.899
bonds (distance) P-C4' energy: -27.897
flat angles C4'-P-C4' energy: -27.581
flat angles P-C4'-P energy: -23.394
tors. eta vs tors. theta energy: -41.781
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: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -399.171086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.171086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.171086 (E_RNA)
where:
Base-Base interactions energy: -263.577
where: short stacking energy: -137.237
Base-Backbone interact. energy: -0.388
local terms energy: -135.205698
where:
bonds (distance) C4'-P energy: -23.757
bonds (distance) P-C4' energy: -27.252
flat angles C4'-P-C4' energy: -26.796
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -36.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -361.630561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.630561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.630561 (E_RNA)
where:
Base-Base interactions energy: -238.023
where: short stacking energy: -129.212
Base-Backbone interact. energy: 1.001
local terms energy: -124.608790
where:
bonds (distance) C4'-P energy: -22.675
bonds (distance) P-C4' energy: -22.472
flat angles C4'-P-C4' energy: -27.280
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: -33.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -351.546071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.546071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.546071 (E_RNA)
where:
Base-Base interactions energy: -217.720
where: short stacking energy: -119.209
Base-Backbone interact. energy: -0.448
local terms energy: -133.378585
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -22.139
flat angles C4'-P-C4' energy: -23.585
flat angles P-C4'-P energy: -22.875
tors. eta vs tors. theta energy: -36.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -311.162801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.162801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.162801 (E_RNA)
where:
Base-Base interactions energy: -194.219
where: short stacking energy: -114.517
Base-Backbone interact. energy: -0.070
local terms energy: -116.873771
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -25.110
flat angles C4'-P-C4' energy: -27.688
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: -25.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -273.263755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.263755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.263755 (E_RNA)
where:
Base-Base interactions energy: -159.568
where: short stacking energy: -86.956
Base-Backbone interact. energy: -0.772
local terms energy: -112.923673
where:
bonds (distance) C4'-P energy: -24.235
bonds (distance) P-C4' energy: -23.023
flat angles C4'-P-C4' energy: -25.757
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -22.149
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: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -249.222003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.222003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.222003 (E_RNA)
where:
Base-Base interactions energy: -138.090
where: short stacking energy: -82.071
Base-Backbone interact. energy: 0.004
local terms energy: -111.135466
where:
bonds (distance) C4'-P energy: -23.030
bonds (distance) P-C4' energy: -29.528
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -145.473199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.473199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.473199 (E_RNA)
where:
Base-Base interactions energy: -55.606
where: short stacking energy: -55.221
Base-Backbone interact. energy: 0.114
local terms energy: -89.981107
where:
bonds (distance) C4'-P energy: -28.451
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -21.469
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -5.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -144.852526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.852526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.852526 (E_RNA)
where:
Base-Base interactions energy: -52.307
where: short stacking energy: -50.370
Base-Backbone interact. energy: 1.433
local terms energy: -93.978341
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -18.842
tors. eta vs tors. theta energy: -11.325
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: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -209.908335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.908335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.908335 (E_RNA)
where:
Base-Base interactions energy: -122.248
where: short stacking energy: -75.048
Base-Backbone interact. energy: -0.633
local terms energy: -87.027003
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -21.466
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -428.718685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.718685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.718685 (E_RNA)
where:
Base-Base interactions energy: -286.275
where: short stacking energy: -141.813
Base-Backbone interact. energy: -0.597
local terms energy: -141.846639
where:
bonds (distance) C4'-P energy: -24.547
bonds (distance) P-C4' energy: -22.844
flat angles C4'-P-C4' energy: -28.570
flat angles P-C4'-P energy: -23.013
tors. eta vs tors. theta energy: -42.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -396.746093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.746093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.746093 (E_RNA)
where:
Base-Base interactions energy: -271.720
where: short stacking energy: -145.101
Base-Backbone interact. energy: -0.016
local terms energy: -125.010066
where:
bonds (distance) C4'-P energy: -26.658
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -25.877
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -36.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -370.977036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.977036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.977036 (E_RNA)
where:
Base-Base interactions energy: -237.890
where: short stacking energy: -130.403
Base-Backbone interact. energy: -0.036
local terms energy: -133.050930
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -23.843
flat angles C4'-P-C4' energy: -26.514
flat angles P-C4'-P energy: -19.244
tors. eta vs tors. theta energy: -43.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -348.399639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.399639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.399639 (E_RNA)
where:
Base-Base interactions energy: -214.132
where: short stacking energy: -128.342
Base-Backbone interact. energy: -0.365
local terms energy: -133.901965
where:
bonds (distance) C4'-P energy: -24.812
bonds (distance) P-C4' energy: -25.886
flat angles C4'-P-C4' energy: -27.641
flat angles P-C4'-P energy: -19.210
tors. eta vs tors. theta energy: -36.353
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: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -297.398795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.398795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.398795 (E_RNA)
where:
Base-Base interactions energy: -174.070
where: short stacking energy: -102.381
Base-Backbone interact. energy: -0.750
local terms energy: -122.579097
where:
bonds (distance) C4'-P energy: -27.488
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -19.768
tors. eta vs tors. theta energy: -27.640
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: 3
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -280.885343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.885343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.885343 (E_RNA)
where:
Base-Base interactions energy: -164.066
where: short stacking energy: -92.960
Base-Backbone interact. energy: -0.647
local terms energy: -116.172352
where:
bonds (distance) C4'-P energy: -24.040
bonds (distance) P-C4' energy: -28.100
flat angles C4'-P-C4' energy: -27.662
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -238.013499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.013499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.013499 (E_RNA)
where:
Base-Base interactions energy: -141.497
where: short stacking energy: -72.169
Base-Backbone interact. energy: -0.883
local terms energy: -95.633925
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -25.419
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -18.170
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: 445
Temperature: 1.250000
Total energy: -139.615043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.615043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.615043 (E_RNA)
where:
Base-Base interactions energy: -58.972
where: short stacking energy: -57.351
Base-Backbone interact. energy: 0.861
local terms energy: -81.503649
where:
bonds (distance) C4'-P energy: -24.437
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -152.992543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.992543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.992543 (E_RNA)
where:
Base-Base interactions energy: -68.673
where: short stacking energy: -57.932
Base-Backbone interact. energy: -1.048
local terms energy: -83.271195
where:
bonds (distance) C4'-P energy: -27.063
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -212.802228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.802228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.802228 (E_RNA)
where:
Base-Base interactions energy: -123.811
where: short stacking energy: -60.050
Base-Backbone interact. energy: 0.723
local terms energy: -89.714032
where:
bonds (distance) C4'-P energy: -22.712
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -393.517153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.517153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.517153 (E_RNA)
where:
Base-Base interactions energy: -256.026
where: short stacking energy: -122.293
Base-Backbone interact. energy: -0.681
local terms energy: -136.809552
where:
bonds (distance) C4'-P energy: -27.445
bonds (distance) P-C4' energy: -24.168
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -20.704
tors. eta vs tors. theta energy: -37.543
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: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -411.644574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.644574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.644574 (E_RNA)
where:
Base-Base interactions energy: -270.045
where: short stacking energy: -133.597
Base-Backbone interact. energy: -0.501
local terms energy: -141.099410
where:
bonds (distance) C4'-P energy: -27.845
bonds (distance) P-C4' energy: -26.563
flat angles C4'-P-C4' energy: -28.360
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -42.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -357.609758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.609758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.609758 (E_RNA)
where:
Base-Base interactions energy: -227.694
where: short stacking energy: -125.702
Base-Backbone interact. energy: -1.790
local terms energy: -128.125175
where:
bonds (distance) C4'-P energy: -25.172
bonds (distance) P-C4' energy: -26.081
flat angles C4'-P-C4' energy: -27.027
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -35.560
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: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -330.181953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.181953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.181953 (E_RNA)
where:
Base-Base interactions energy: -208.656
where: short stacking energy: -112.272
Base-Backbone interact. energy: -0.152
local terms energy: -121.373768
where:
bonds (distance) C4'-P energy: -28.442
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -29.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -284.247828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.247828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.247828 (E_RNA)
where:
Base-Base interactions energy: -169.218
where: short stacking energy: -106.973
Base-Backbone interact. energy: -1.077
local terms energy: -113.953601
where:
bonds (distance) C4'-P energy: -26.916
bonds (distance) P-C4' energy: -27.918
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -28.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -290.905113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.905113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.905113 (E_RNA)
where:
Base-Base interactions energy: -175.172
where: short stacking energy: -106.491
Base-Backbone interact. energy: 0.056
local terms energy: -115.789059
where:
bonds (distance) C4'-P energy: -25.289
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -30.314
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -21.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -252.467267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.467267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.467267 (E_RNA)
where:
Base-Base interactions energy: -153.323
where: short stacking energy: -83.727
Base-Backbone interact. energy: -0.187
local terms energy: -98.956740
where:
bonds (distance) C4'-P energy: -22.191
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -18.528
tors. eta vs tors. theta energy: -15.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -144.085441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.085441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.085441 (E_RNA)
where:
Base-Base interactions energy: -57.558
where: short stacking energy: -54.369
Base-Backbone interact. energy: 0.023
local terms energy: -86.550958
where:
bonds (distance) C4'-P energy: -23.106
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -16.823
tors. eta vs tors. theta energy: -9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -211.491783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.491783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.491783 (E_RNA)
where:
Base-Base interactions energy: -115.398
where: short stacking energy: -64.390
Base-Backbone interact. energy: -2.162
local terms energy: -93.931959
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -26.001
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: -10.790
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: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -124.778194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.778194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.778194 (E_RNA)
where:
Base-Base interactions energy: -43.914
where: short stacking energy: -40.222
Base-Backbone interact. energy: -1.303
local terms energy: -79.561017
where:
bonds (distance) C4'-P energy: -19.413
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -17.143
tors. eta vs tors. theta energy: -5.675
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -399.211092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.211092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.211092 (E_RNA)
where:
Base-Base interactions energy: -262.675
where: short stacking energy: -128.505
Base-Backbone interact. energy: -0.932
local terms energy: -135.604240
where:
bonds (distance) C4'-P energy: -23.899
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -30.568
flat angles P-C4'-P energy: -19.791
tors. eta vs tors. theta energy: -36.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -415.628100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.628100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.628100 (E_RNA)
where:
Base-Base interactions energy: -278.240
where: short stacking energy: -143.957
Base-Backbone interact. energy: -0.087
local terms energy: -137.300788
where:
bonds (distance) C4'-P energy: -24.475
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -28.567
flat angles P-C4'-P energy: -18.099
tors. eta vs tors. theta energy: -40.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -356.258881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.258881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.258881 (E_RNA)
where:
Base-Base interactions energy: -225.318
where: short stacking energy: -114.897
Base-Backbone interact. energy: -0.096
local terms energy: -130.844412
where:
bonds (distance) C4'-P energy: -26.110
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -28.510
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -34.841
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: 9
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -332.378933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.378933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.378933 (E_RNA)
where:
Base-Base interactions energy: -210.862
where: short stacking energy: -110.169
Base-Backbone interact. energy: -1.484
local terms energy: -120.032958
where:
bonds (distance) C4'-P energy: -23.781
bonds (distance) P-C4' energy: -23.249
flat angles C4'-P-C4' energy: -24.080
flat angles P-C4'-P energy: -20.395
tors. eta vs tors. theta energy: -28.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -295.983008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.983008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.983008 (E_RNA)
where:
Base-Base interactions energy: -175.916
where: short stacking energy: -98.530
Base-Backbone interact. energy: -0.901
local terms energy: -119.165612
where:
bonds (distance) C4'-P energy: -23.582
bonds (distance) P-C4' energy: -25.636
flat angles C4'-P-C4' energy: -28.653
flat angles P-C4'-P energy: -15.648
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -282.989048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.989048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.989048 (E_RNA)
where:
Base-Base interactions energy: -171.241
where: short stacking energy: -86.213
Base-Backbone interact. energy: -0.528
local terms energy: -111.220446
where:
bonds (distance) C4'-P energy: -24.318
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -27.731
flat angles P-C4'-P energy: -18.105
tors. eta vs tors. theta energy: -22.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -261.386410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.386410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.386410 (E_RNA)
where:
Base-Base interactions energy: -167.282
where: short stacking energy: -85.863
Base-Backbone interact. energy: -0.270
local terms energy: -93.834389
where:
bonds (distance) C4'-P energy: -23.533
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -24.053
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: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -225.637724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.637724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.637724 (E_RNA)
where:
Base-Base interactions energy: -128.324
where: short stacking energy: -72.138
Base-Backbone interact. energy: -0.493
local terms energy: -96.821062
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -22.777
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -15.092
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -140.884262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.884262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.884262 (E_RNA)
where:
Base-Base interactions energy: -61.996
where: short stacking energy: -51.275
Base-Backbone interact. energy: -0.125
local terms energy: -78.762957
where:
bonds (distance) C4'-P energy: -22.336
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -23.300
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -9.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -120.140168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.140168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.140168 (E_RNA)
where:
Base-Base interactions energy: -37.621
where: short stacking energy: -37.621
Base-Backbone interact. energy: 0.411
local terms energy: -82.929935
where:
bonds (distance) C4'-P energy: -22.494
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: -1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -438.330429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.330429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.330429 (E_RNA)
where:
Base-Base interactions energy: -283.651
where: short stacking energy: -143.691
Base-Backbone interact. energy: -0.019
local terms energy: -154.661060
where:
bonds (distance) C4'-P energy: -27.543
bonds (distance) P-C4' energy: -30.287
flat angles C4'-P-C4' energy: -29.561
flat angles P-C4'-P energy: -24.959
tors. eta vs tors. theta energy: -42.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -385.158566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.158566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.158566 (E_RNA)
where:
Base-Base interactions energy: -247.431
where: short stacking energy: -120.717
Base-Backbone interact. energy: -0.024
local terms energy: -137.704191
where:
bonds (distance) C4'-P energy: -24.497
bonds (distance) P-C4' energy: -28.931
flat angles C4'-P-C4' energy: -31.257
flat angles P-C4'-P energy: -18.548
tors. eta vs tors. theta energy: -34.471
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: 9
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -346.421053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.421053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.421053 (E_RNA)
where:
Base-Base interactions energy: -220.777
where: short stacking energy: -123.988
Base-Backbone interact. energy: 0.825
local terms energy: -126.469425
where:
bonds (distance) C4'-P energy: -23.364
bonds (distance) P-C4' energy: -22.271
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -22.987
tors. eta vs tors. theta energy: -36.462
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: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -328.965898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.965898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.965898 (E_RNA)
where:
Base-Base interactions energy: -205.924
where: short stacking energy: -110.197
Base-Backbone interact. energy: -1.273
local terms energy: -121.768912
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -28.319
flat angles C4'-P-C4' energy: -25.604
flat angles P-C4'-P energy: -18.198
tors. eta vs tors. theta energy: -29.711
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: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -314.223538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.223538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.223538 (E_RNA)
where:
Base-Base interactions energy: -182.909
where: short stacking energy: -105.967
Base-Backbone interact. energy: -0.714
local terms energy: -130.600456
where:
bonds (distance) C4'-P energy: -26.263
bonds (distance) P-C4' energy: -26.355
flat angles C4'-P-C4' energy: -25.193
flat angles P-C4'-P energy: -19.432
tors. eta vs tors. theta energy: -33.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -266.563841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.563841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.563841 (E_RNA)
where:
Base-Base interactions energy: -158.016
where: short stacking energy: -85.083
Base-Backbone interact. energy: 1.330
local terms energy: -109.877177
where:
bonds (distance) C4'-P energy: -27.751
bonds (distance) P-C4' energy: -28.422
flat angles C4'-P-C4' energy: -24.727
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -18.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -243.235293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.235293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.235293 (E_RNA)
where:
Base-Base interactions energy: -137.213
where: short stacking energy: -78.951
Base-Backbone interact. energy: -0.317
local terms energy: -105.705163
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -235.999554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.999554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.999554 (E_RNA)
where:
Base-Base interactions energy: -140.528
where: short stacking energy: -79.002
Base-Backbone interact. energy: -0.097
local terms energy: -95.374576
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -26.060
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -130.922788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.922788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.922788 (E_RNA)
where:
Base-Base interactions energy: -44.378
where: short stacking energy: -42.460
Base-Backbone interact. energy: 1.990
local terms energy: -88.534571
where:
bonds (distance) C4'-P energy: -29.761
bonds (distance) P-C4' energy: -22.311
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -136.509506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.509506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.509506 (E_RNA)
where:
Base-Base interactions energy: -56.832
where: short stacking energy: -41.325
Base-Backbone interact. energy: -0.590
local terms energy: -79.087906
where:
bonds (distance) C4'-P energy: -20.052
bonds (distance) P-C4' energy: -26.321
flat angles C4'-P-C4' energy: -10.134
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -427.031448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.031448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.031448 (E_RNA)
where:
Base-Base interactions energy: -285.798
where: short stacking energy: -146.337
Base-Backbone interact. energy: -0.389
local terms energy: -140.844223
where:
bonds (distance) C4'-P energy: -23.051
bonds (distance) P-C4' energy: -26.073
flat angles C4'-P-C4' energy: -28.940
flat angles P-C4'-P energy: -20.750
tors. eta vs tors. theta energy: -42.029
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: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -388.296408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.296408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.296408 (E_RNA)
where:
Base-Base interactions energy: -256.978
where: short stacking energy: -131.866
Base-Backbone interact. energy: -0.713
local terms energy: -130.604834
where:
bonds (distance) C4'-P energy: -25.429
bonds (distance) P-C4' energy: -28.003
flat angles C4'-P-C4' energy: -27.159
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -35.047
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: 9
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -355.503042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.503042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.503042 (E_RNA)
where:
Base-Base interactions energy: -233.647
where: short stacking energy: -126.935
Base-Backbone interact. energy: -0.517
local terms energy: -121.339203
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -25.572
flat angles C4'-P-C4' energy: -23.461
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: -37.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -325.629797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.629797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.629797 (E_RNA)
where:
Base-Base interactions energy: -206.015
where: short stacking energy: -107.127
Base-Backbone interact. energy: -1.469
local terms energy: -118.145881
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -26.848
flat angles C4'-P-C4' energy: -25.382
flat angles P-C4'-P energy: -18.600
tors. eta vs tors. theta energy: -28.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -335.011722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.011722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.011722 (E_RNA)
where:
Base-Base interactions energy: -215.897
where: short stacking energy: -119.610
Base-Backbone interact. energy: -0.111
local terms energy: -119.003097
where:
bonds (distance) C4'-P energy: -20.557
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -36.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -253.867186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.867186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.867186 (E_RNA)
where:
Base-Base interactions energy: -145.092
where: short stacking energy: -75.461
Base-Backbone interact. energy: -0.592
local terms energy: -108.183259
where:
bonds (distance) C4'-P energy: -24.058
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -29.026
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -283.674122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.674122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.674122 (E_RNA)
where:
Base-Base interactions energy: -175.196
where: short stacking energy: -102.674
Base-Backbone interact. energy: -1.476
local terms energy: -107.001785
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -24.440
flat angles C4'-P-C4' energy: -26.519
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -251.409278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.409278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.409278 (E_RNA)
where:
Base-Base interactions energy: -147.687
where: short stacking energy: -83.792
Base-Backbone interact. energy: -0.627
local terms energy: -103.095390
where:
bonds (distance) C4'-P energy: -25.950
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -21.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -131.537578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.537578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.537578 (E_RNA)
where:
Base-Base interactions energy: -54.804
where: short stacking energy: -50.359
Base-Backbone interact. energy: 1.512
local terms energy: -78.245527
where:
bonds (distance) C4'-P energy: -26.153
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -10.836
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: 10, replica: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -122.350504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.350504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.350504 (E_RNA)
where:
Base-Base interactions energy: -52.543
where: short stacking energy: -39.305
Base-Backbone interact. energy: -0.185
local terms energy: -69.622315
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -22.274
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -19.579
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -443.034862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.034862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.034862 (E_RNA)
where:
Base-Base interactions energy: -293.426
where: short stacking energy: -150.077
Base-Backbone interact. energy: -0.009
local terms energy: -149.599571
where:
bonds (distance) C4'-P energy: -29.498
bonds (distance) P-C4' energy: -25.929
flat angles C4'-P-C4' energy: -31.330
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -42.272
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: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -376.318446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.318446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.318446 (E_RNA)
where:
Base-Base interactions energy: -253.143
where: short stacking energy: -124.387
Base-Backbone interact. energy: -0.145
local terms energy: -123.029878
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -24.655
flat angles C4'-P-C4' energy: -26.844
flat angles P-C4'-P energy: -16.242
tors. eta vs tors. theta energy: -35.562
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: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -350.935962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.935962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.935962 (E_RNA)
where:
Base-Base interactions energy: -220.479
where: short stacking energy: -122.748
Base-Backbone interact. energy: -0.877
local terms energy: -129.579810
where:
bonds (distance) C4'-P energy: -29.804
bonds (distance) P-C4' energy: -28.690
flat angles C4'-P-C4' energy: -23.384
flat angles P-C4'-P energy: -16.526
tors. eta vs tors. theta energy: -31.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -310.892538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.892538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.892538 (E_RNA)
where:
Base-Base interactions energy: -195.360
where: short stacking energy: -99.069
Base-Backbone interact. energy: -1.705
local terms energy: -113.828040
where:
bonds (distance) C4'-P energy: -24.758
bonds (distance) P-C4' energy: -25.847
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -27.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -333.692454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.692454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.692454 (E_RNA)
where:
Base-Base interactions energy: -221.500
where: short stacking energy: -122.937
Base-Backbone interact. energy: -1.348
local terms energy: -110.844296
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -25.607
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -33.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -251.650844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.650844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.650844 (E_RNA)
where:
Base-Base interactions energy: -149.907
where: short stacking energy: -91.965
Base-Backbone interact. energy: -0.404
local terms energy: -101.340179
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -30.032
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -16.423
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: 7, replica: 3
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -256.051338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.051338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.051338 (E_RNA)
where:
Base-Base interactions energy: -160.538
where: short stacking energy: -82.393
Base-Backbone interact. energy: 2.007
local terms energy: -97.519581
where:
bonds (distance) C4'-P energy: -21.164
bonds (distance) P-C4' energy: -20.080
flat angles C4'-P-C4' energy: -23.088
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: -12.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -219.098427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.098427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.098427 (E_RNA)
where:
Base-Base interactions energy: -125.055
where: short stacking energy: -76.375
Base-Backbone interact. energy: -0.329
local terms energy: -93.714388
where:
bonds (distance) C4'-P energy: -23.566
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -169.155404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.155404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.155404 (E_RNA)
where:
Base-Base interactions energy: -81.919
where: short stacking energy: -57.209
Base-Backbone interact. energy: -0.163
local terms energy: -87.073602
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -21.057
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -9.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -125.063303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.063303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.063303 (E_RNA)
where:
Base-Base interactions energy: -48.236
where: short stacking energy: -46.543
Base-Backbone interact. energy: -0.477
local terms energy: -76.350989
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -29.964
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: 4.975
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -423.563376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.563376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.563376 (E_RNA)
where:
Base-Base interactions energy: -280.237
where: short stacking energy: -138.499
Base-Backbone interact. energy: -0.101
local terms energy: -143.225414
where:
bonds (distance) C4'-P energy: -24.129
bonds (distance) P-C4' energy: -27.857
flat angles C4'-P-C4' energy: -29.242
flat angles P-C4'-P energy: -19.445
tors. eta vs tors. theta energy: -42.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -399.854239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.854239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.854239 (E_RNA)
where:
Base-Base interactions energy: -262.998
where: short stacking energy: -132.636
Base-Backbone interact. energy: -0.325
local terms energy: -136.531577
where:
bonds (distance) C4'-P energy: -29.045
bonds (distance) P-C4' energy: -26.002
flat angles C4'-P-C4' energy: -26.197
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -37.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -351.323811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.323811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.323811 (E_RNA)
where:
Base-Base interactions energy: -230.104
where: short stacking energy: -125.887
Base-Backbone interact. energy: -1.191
local terms energy: -120.029087
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -18.059
tors. eta vs tors. theta energy: -35.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -334.118724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.118724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.118724 (E_RNA)
where:
Base-Base interactions energy: -216.365
where: short stacking energy: -123.392
Base-Backbone interact. energy: 0.182
local terms energy: -117.936492
where:
bonds (distance) C4'-P energy: -26.223
bonds (distance) P-C4' energy: -23.205
flat angles C4'-P-C4' energy: -22.503
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -32.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -288.131603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.131603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.131603 (E_RNA)
where:
Base-Base interactions energy: -177.720
where: short stacking energy: -93.554
Base-Backbone interact. energy: -0.118
local terms energy: -110.294264
where:
bonds (distance) C4'-P energy: -22.327
bonds (distance) P-C4' energy: -24.566
flat angles C4'-P-C4' energy: -24.313
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -289.354756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.354756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.354756 (E_RNA)
where:
Base-Base interactions energy: -187.787
where: short stacking energy: -91.223
Base-Backbone interact. energy: 1.435
local terms energy: -103.002790
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -24.880
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -21.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -247.045627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.045627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.045627 (E_RNA)
where:
Base-Base interactions energy: -151.075
where: short stacking energy: -91.921
Base-Backbone interact. energy: -0.657
local terms energy: -95.312831
where:
bonds (distance) C4'-P energy: -19.305
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -12.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -221.146126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.146126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.146126 (E_RNA)
where:
Base-Base interactions energy: -129.590
where: short stacking energy: -63.166
Base-Backbone interact. energy: -0.220
local terms energy: -91.336067
where:
bonds (distance) C4'-P energy: -26.902
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -24.133
flat angles P-C4'-P energy: -17.161
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -123.619847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.619847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.619847 (E_RNA)
where:
Base-Base interactions energy: -46.003
where: short stacking energy: -46.003
Base-Backbone interact. energy: -0.719
local terms energy: -76.897351
where:
bonds (distance) C4'-P energy: -22.431
bonds (distance) P-C4' energy: -21.301
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -17.062
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: 10, replica: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -121.807330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.807330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.807330 (E_RNA)
where:
Base-Base interactions energy: -42.100
where: short stacking energy: -42.100
Base-Backbone interact. energy: -0.270
local terms energy: -79.437460
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -22.670
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -14.912
tors. eta vs tors. theta energy: 1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -421.236876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.236876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.236876 (E_RNA)
where:
Base-Base interactions energy: -282.365
where: short stacking energy: -139.891
Base-Backbone interact. energy: -0.261
local terms energy: -138.611476
where:
bonds (distance) C4'-P energy: -29.869
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -28.619
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -40.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -396.590633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.590633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.590633 (E_RNA)
where:
Base-Base interactions energy: -265.270
where: short stacking energy: -133.664
Base-Backbone interact. energy: -0.014
local terms energy: -131.306941
where:
bonds (distance) C4'-P energy: -27.088
bonds (distance) P-C4' energy: -25.189
flat angles C4'-P-C4' energy: -25.496
flat angles P-C4'-P energy: -18.134
tors. eta vs tors. theta energy: -35.401
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: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -363.317241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.317241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.317241 (E_RNA)
where:
Base-Base interactions energy: -234.564
where: short stacking energy: -133.301
Base-Backbone interact. energy: -0.122
local terms energy: -128.631490
where:
bonds (distance) C4'-P energy: -24.235
bonds (distance) P-C4' energy: -25.137
flat angles C4'-P-C4' energy: -30.199
flat angles P-C4'-P energy: -15.821
tors. eta vs tors. theta energy: -33.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -340.801285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.801285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.801285 (E_RNA)
where:
Base-Base interactions energy: -207.118
where: short stacking energy: -112.710
Base-Backbone interact. energy: -0.366
local terms energy: -133.317145
where:
bonds (distance) C4'-P energy: -22.841
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -28.921
flat angles P-C4'-P energy: -23.353
tors. eta vs tors. theta energy: -30.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -323.484616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.484616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.484616 (E_RNA)
where:
Base-Base interactions energy: -206.970
where: short stacking energy: -118.225
Base-Backbone interact. energy: -0.510
local terms energy: -116.004316
where:
bonds (distance) C4'-P energy: -24.032
bonds (distance) P-C4' energy: -21.518
flat angles C4'-P-C4' energy: -26.148
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -34.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -299.312562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.312562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.312562 (E_RNA)
where:
Base-Base interactions energy: -175.822
where: short stacking energy: -95.237
Base-Backbone interact. energy: -0.048
local terms energy: -123.442485
where:
bonds (distance) C4'-P energy: -26.749
bonds (distance) P-C4' energy: -23.522
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -20.670
tors. eta vs tors. theta energy: -30.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -227.233712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.233712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.233712 (E_RNA)
where:
Base-Base interactions energy: -131.210
where: short stacking energy: -67.440
Base-Backbone interact. energy: -1.752
local terms energy: -94.271742
where:
bonds (distance) C4'-P energy: -26.202
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -25.966
flat angles P-C4'-P energy: -12.161
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: 8, replica: 5
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -250.241319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.241319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.241319 (E_RNA)
where:
Base-Base interactions energy: -147.425
where: short stacking energy: -85.775
Base-Backbone interact. energy: -0.297
local terms energy: -102.519358
where:
bonds (distance) C4'-P energy: -23.716
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -26.964
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -15.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -142.926508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.926508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.926508 (E_RNA)
where:
Base-Base interactions energy: -53.306
where: short stacking energy: -53.306
Base-Backbone interact. energy: 0.160
local terms energy: -89.781046
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -26.482
flat angles C4'-P-C4' energy: -21.777
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -5.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -122.236022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.236022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.236022 (E_RNA)
where:
Base-Base interactions energy: -48.874
where: short stacking energy: -46.459
Base-Backbone interact. energy: 0.548
local terms energy: -73.910227
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -24.553
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: 0.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -421.297188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.297188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.297188 (E_RNA)
where:
Base-Base interactions energy: -277.058
where: short stacking energy: -135.176
Base-Backbone interact. energy: -0.239
local terms energy: -144.000835
where:
bonds (distance) C4'-P energy: -23.896
bonds (distance) P-C4' energy: -27.508
flat angles C4'-P-C4' energy: -29.230
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -42.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -402.332242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.332242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.332242 (E_RNA)
where:
Base-Base interactions energy: -280.279
where: short stacking energy: -132.920
Base-Backbone interact. energy: -0.079
local terms energy: -121.973993
where:
bonds (distance) C4'-P energy: -20.944
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -25.513
flat angles P-C4'-P energy: -17.749
tors. eta vs tors. theta energy: -34.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -358.853019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.853019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.853019 (E_RNA)
where:
Base-Base interactions energy: -226.911
where: short stacking energy: -124.854
Base-Backbone interact. energy: -0.608
local terms energy: -131.334114
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -29.593
flat angles C4'-P-C4' energy: -28.128
flat angles P-C4'-P energy: -21.747
tors. eta vs tors. theta energy: -32.093
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: 3
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -313.201167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.201167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.201167 (E_RNA)
where:
Base-Base interactions energy: -207.860
where: short stacking energy: -111.845
Base-Backbone interact. energy: -0.533
local terms energy: -104.808876
where:
bonds (distance) C4'-P energy: -21.847
bonds (distance) P-C4' energy: -21.999
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -25.887
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: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -332.823507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.823507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.823507 (E_RNA)
where:
Base-Base interactions energy: -216.246
where: short stacking energy: -117.895
Base-Backbone interact. energy: -0.183
local terms energy: -116.394008
where:
bonds (distance) C4'-P energy: -22.901
bonds (distance) P-C4' energy: -27.961
flat angles C4'-P-C4' energy: -23.983
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -32.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -256.431200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.431200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.431200 (E_RNA)
where:
Base-Base interactions energy: -156.018
where: short stacking energy: -92.699
Base-Backbone interact. energy: -1.310
local terms energy: -99.103455
where:
bonds (distance) C4'-P energy: -19.318
bonds (distance) P-C4' energy: -26.230
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -12.842
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: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -272.605434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.605434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.605434 (E_RNA)
where:
Base-Base interactions energy: -174.098
where: short stacking energy: -88.354
Base-Backbone interact. energy: 0.222
local terms energy: -98.729605
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -236.808830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.808830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.808830 (E_RNA)
where:
Base-Base interactions energy: -129.549
where: short stacking energy: -68.033
Base-Backbone interact. energy: 0.238
local terms energy: -107.497055
where:
bonds (distance) C4'-P energy: -27.661
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -29.044
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -12.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -132.609112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.609112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.609112 (E_RNA)
where:
Base-Base interactions energy: -48.106
where: short stacking energy: -44.714
Base-Backbone interact. energy: -0.056
local terms energy: -84.447778
where:
bonds (distance) C4'-P energy: -25.979
bonds (distance) P-C4' energy: -27.016
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -18.024
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -126.273604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.273604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.273604 (E_RNA)
where:
Base-Base interactions energy: -48.336
where: short stacking energy: -40.220
Base-Backbone interact. energy: -0.374
local terms energy: -77.564008
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -28.348
flat angles C4'-P-C4' energy: -23.769
flat angles P-C4'-P energy: -9.377
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -440.169212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.169212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.169212 (E_RNA)
where:
Base-Base interactions energy: -284.245
where: short stacking energy: -139.711
Base-Backbone interact. energy: -1.064
local terms energy: -154.860913
where:
bonds (distance) C4'-P energy: -28.286
bonds (distance) P-C4' energy: -30.626
flat angles C4'-P-C4' energy: -28.274
flat angles P-C4'-P energy: -22.672
tors. eta vs tors. theta energy: -45.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -395.101961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.101961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.101961 (E_RNA)
where:
Base-Base interactions energy: -258.380
where: short stacking energy: -137.294
Base-Backbone interact. energy: -0.163
local terms energy: -136.558915
where:
bonds (distance) C4'-P energy: -25.336
bonds (distance) P-C4' energy: -24.485
flat angles C4'-P-C4' energy: -28.482
flat angles P-C4'-P energy: -17.963
tors. eta vs tors. theta energy: -40.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -361.874302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.874302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.874302 (E_RNA)
where:
Base-Base interactions energy: -236.598
where: short stacking energy: -133.623
Base-Backbone interact. energy: -0.314
local terms energy: -124.962807
where:
bonds (distance) C4'-P energy: -21.631
bonds (distance) P-C4' energy: -25.680
flat angles C4'-P-C4' energy: -28.694
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -31.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -324.938392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.938392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.938392 (E_RNA)
where:
Base-Base interactions energy: -204.806
where: short stacking energy: -106.468
Base-Backbone interact. energy: 0.768
local terms energy: -120.900448
where:
bonds (distance) C4'-P energy: -27.779
bonds (distance) P-C4' energy: -27.188
flat angles C4'-P-C4' energy: -26.606
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -24.383
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: 454
Temperature: 1.100000
Total energy: -287.171119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.171119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.171119 (E_RNA)
where:
Base-Base interactions energy: -178.485
where: short stacking energy: -97.961
Base-Backbone interact. energy: -1.359
local terms energy: -107.326942
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -21.899
flat angles C4'-P-C4' energy: -23.018
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -18.568
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: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -315.256522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.256522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.256522 (E_RNA)
where:
Base-Base interactions energy: -197.776
where: short stacking energy: -114.887
Base-Backbone interact. energy: 0.400
local terms energy: -117.880463
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -22.502
flat angles C4'-P-C4' energy: -25.407
flat angles P-C4'-P energy: -18.637
tors. eta vs tors. theta energy: -31.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -256.686743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.686743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.686743 (E_RNA)
where:
Base-Base interactions energy: -142.567
where: short stacking energy: -87.198
Base-Backbone interact. energy: -0.533
local terms energy: -113.585836
where:
bonds (distance) C4'-P energy: -25.581
bonds (distance) P-C4' energy: -26.469
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -17.643
tors. eta vs tors. theta energy: -21.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -262.991339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.991339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.991339 (E_RNA)
where:
Base-Base interactions energy: -164.772
where: short stacking energy: -89.094
Base-Backbone interact. energy: 2.449
local terms energy: -100.668895
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -21.042
flat angles P-C4'-P energy: -18.936
tors. eta vs tors. theta energy: -22.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -150.693482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.693482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.693482 (E_RNA)
where:
Base-Base interactions energy: -79.765
where: short stacking energy: -43.193
Base-Backbone interact. energy: 0.547
local terms energy: -71.475244
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -24.853
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -14.098
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: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -110.735895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.735895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.735895 (E_RNA)
where:
Base-Base interactions energy: -35.382
where: short stacking energy: -35.416
Base-Backbone interact. energy: -0.195
local terms energy: -75.159412
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -19.698
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -17.136
tors. eta vs tors. theta energy: 1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -424.991674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.991674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.991674 (E_RNA)
where:
Base-Base interactions energy: -283.446
where: short stacking energy: -130.246
Base-Backbone interact. energy: -1.053
local terms energy: -140.492773
where:
bonds (distance) C4'-P energy: -22.862
bonds (distance) P-C4' energy: -27.734
flat angles C4'-P-C4' energy: -30.762
flat angles P-C4'-P energy: -17.612
tors. eta vs tors. theta energy: -41.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -397.188821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.188821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.188821 (E_RNA)
where:
Base-Base interactions energy: -260.227
where: short stacking energy: -126.082
Base-Backbone interact. energy: -1.105
local terms energy: -135.856075
where:
bonds (distance) C4'-P energy: -26.750
bonds (distance) P-C4' energy: -27.426
flat angles C4'-P-C4' energy: -25.880
flat angles P-C4'-P energy: -17.186
tors. eta vs tors. theta energy: -38.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -361.834422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.834422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.834422 (E_RNA)
where:
Base-Base interactions energy: -227.565
where: short stacking energy: -120.724
Base-Backbone interact. energy: -0.465
local terms energy: -133.804674
where:
bonds (distance) C4'-P energy: -26.988
bonds (distance) P-C4' energy: -25.441
flat angles C4'-P-C4' energy: -25.992
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -36.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -313.931230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.931230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.931230 (E_RNA)
where:
Base-Base interactions energy: -201.026
where: short stacking energy: -104.959
Base-Backbone interact. energy: -0.647
local terms energy: -112.258049
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -28.144
flat angles C4'-P-C4' energy: -27.191
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -25.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -298.651260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.651260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.651260 (E_RNA)
where:
Base-Base interactions energy: -174.520
where: short stacking energy: -96.204
Base-Backbone interact. energy: -1.761
local terms energy: -122.370037
where:
bonds (distance) C4'-P energy: -25.633
bonds (distance) P-C4' energy: -30.416
flat angles C4'-P-C4' energy: -24.804
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -27.520
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: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -318.780228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.780228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.780228 (E_RNA)
where:
Base-Base interactions energy: -199.677
where: short stacking energy: -109.121
Base-Backbone interact. energy: -0.993
local terms energy: -118.110415
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -23.155
flat angles C4'-P-C4' energy: -27.552
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -33.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -242.709905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.709905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.709905 (E_RNA)
where:
Base-Base interactions energy: -147.511
where: short stacking energy: -77.451
Base-Backbone interact. energy: -1.246
local terms energy: -93.952892
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -25.053
flat angles C4'-P-C4' energy: -24.030
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -272.186706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.186706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.186706 (E_RNA)
where:
Base-Base interactions energy: -157.210
where: short stacking energy: -85.045
Base-Backbone interact. energy: -0.745
local terms energy: -114.232223
where:
bonds (distance) C4'-P energy: -24.132
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -28.019
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -29.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -152.654640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.654640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.654640 (E_RNA)
where:
Base-Base interactions energy: -78.389
where: short stacking energy: -55.544
Base-Backbone interact. energy: -0.726
local terms energy: -73.540098
where:
bonds (distance) C4'-P energy: -23.259
bonds (distance) P-C4' energy: -21.727
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -12.311
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: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -115.948776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.948776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.948776 (E_RNA)
where:
Base-Base interactions energy: -35.429
where: short stacking energy: -32.514
Base-Backbone interact. energy: -0.329
local terms energy: -80.190518
where:
bonds (distance) C4'-P energy: -24.526
bonds (distance) P-C4' energy: -30.958
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -9.573
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -419.069129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.069129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.069129 (E_RNA)
where:
Base-Base interactions energy: -281.291
where: short stacking energy: -138.541
Base-Backbone interact. energy: -0.291
local terms energy: -137.486647
where:
bonds (distance) C4'-P energy: -28.107
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -29.088
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -42.903
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: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -393.236168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.236168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.236168 (E_RNA)
where:
Base-Base interactions energy: -257.736
where: short stacking energy: -129.797
Base-Backbone interact. energy: -0.487
local terms energy: -135.012647
where:
bonds (distance) C4'-P energy: -25.839
bonds (distance) P-C4' energy: -23.615
flat angles C4'-P-C4' energy: -23.730
flat angles P-C4'-P energy: -20.521
tors. eta vs tors. theta energy: -41.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -349.434468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.434468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.434468 (E_RNA)
where:
Base-Base interactions energy: -216.151
where: short stacking energy: -125.423
Base-Backbone interact. energy: -1.000
local terms energy: -132.283585
where:
bonds (distance) C4'-P energy: -24.638
bonds (distance) P-C4' energy: -29.002
flat angles C4'-P-C4' energy: -28.198
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -34.681
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: 4, replica: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -314.606134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.606134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.606134 (E_RNA)
where:
Base-Base interactions energy: -200.055
where: short stacking energy: -99.988
Base-Backbone interact. energy: -0.863
local terms energy: -113.688527
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -25.621
flat angles C4'-P-C4' energy: -24.760
flat angles P-C4'-P energy: -18.705
tors. eta vs tors. theta energy: -25.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -322.100726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.100726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.100726 (E_RNA)
where:
Base-Base interactions energy: -206.028
where: short stacking energy: -108.358
Base-Backbone interact. energy: -0.024
local terms energy: -116.048778
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -26.156
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -27.926
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: 6, replica: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -280.338588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.338588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.338588 (E_RNA)
where:
Base-Base interactions energy: -174.973
where: short stacking energy: -94.334
Base-Backbone interact. energy: -0.601
local terms energy: -104.764450
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -23.871
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -21.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -265.757445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.757445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.757445 (E_RNA)
where:
Base-Base interactions energy: -163.074
where: short stacking energy: -85.050
Base-Backbone interact. energy: -1.166
local terms energy: -101.516784
where:
bonds (distance) C4'-P energy: -23.358
bonds (distance) P-C4' energy: -26.753
flat angles C4'-P-C4' energy: -19.295
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -244.694442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.694442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.694442 (E_RNA)
where:
Base-Base interactions energy: -143.735
where: short stacking energy: -87.062
Base-Backbone interact. energy: -0.279
local terms energy: -100.679643
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -18.870
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: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -131.715965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.715965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.715965 (E_RNA)
where:
Base-Base interactions energy: -45.417
where: short stacking energy: -35.669
Base-Backbone interact. energy: -0.566
local terms energy: -85.733812
where:
bonds (distance) C4'-P energy: -30.259
bonds (distance) P-C4' energy: -24.942
flat angles C4'-P-C4' energy: -22.303
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: 2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -120.626653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.626653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.626653 (E_RNA)
where:
Base-Base interactions energy: -32.108
where: short stacking energy: -30.824
Base-Backbone interact. energy: 0.502
local terms energy: -89.020854
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -29.058
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -3.581
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -426.382147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.382147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.382147 (E_RNA)
where:
Base-Base interactions energy: -283.614
where: short stacking energy: -140.388
Base-Backbone interact. energy: -0.055
local terms energy: -142.713636
where:
bonds (distance) C4'-P energy: -26.860
bonds (distance) P-C4' energy: -23.439
flat angles C4'-P-C4' energy: -28.382
flat angles P-C4'-P energy: -19.697
tors. eta vs tors. theta energy: -44.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -385.043340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.043340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.043340 (E_RNA)
where:
Base-Base interactions energy: -252.370
where: short stacking energy: -113.605
Base-Backbone interact. energy: -0.479
local terms energy: -132.193767
where:
bonds (distance) C4'-P energy: -24.565
bonds (distance) P-C4' energy: -26.010
flat angles C4'-P-C4' energy: -26.909
flat angles P-C4'-P energy: -19.257
tors. eta vs tors. theta energy: -35.453
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: 1
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -345.788327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.788327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.788327 (E_RNA)
where:
Base-Base interactions energy: -220.530
where: short stacking energy: -125.029
Base-Backbone interact. energy: -0.328
local terms energy: -124.930313
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -27.617
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -33.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -344.892701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.892701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.892701 (E_RNA)
where:
Base-Base interactions energy: -215.861
where: short stacking energy: -121.280
Base-Backbone interact. energy: -0.077
local terms energy: -128.955409
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -25.403
flat angles C4'-P-C4' energy: -29.880
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -36.986
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: 7
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -320.058578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.058578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.058578 (E_RNA)
where:
Base-Base interactions energy: -201.053
where: short stacking energy: -116.100
Base-Backbone interact. energy: -0.641
local terms energy: -118.363976
where:
bonds (distance) C4'-P energy: -22.183
bonds (distance) P-C4' energy: -27.076
flat angles C4'-P-C4' energy: -26.353
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -26.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -266.900576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.900576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.900576 (E_RNA)
where:
Base-Base interactions energy: -158.248
where: short stacking energy: -84.310
Base-Backbone interact. energy: -0.858
local terms energy: -107.794830
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -24.844
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -22.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -287.277227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.277227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.277227 (E_RNA)
where:
Base-Base interactions energy: -174.368
where: short stacking energy: -102.652
Base-Backbone interact. energy: -0.024
local terms energy: -112.884392
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -21.600
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -19.886
tors. eta vs tors. theta energy: -31.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -226.007966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.007966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.007966 (E_RNA)
where:
Base-Base interactions energy: -145.018
where: short stacking energy: -82.439
Base-Backbone interact. energy: -0.923
local terms energy: -80.066257
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -24.006
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -160.011582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.011582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.011582 (E_RNA)
where:
Base-Base interactions energy: -84.077
where: short stacking energy: -54.824
Base-Backbone interact. energy: 1.663
local terms energy: -77.597455
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -24.375
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -118.649362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.649362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.649362 (E_RNA)
where:
Base-Base interactions energy: -44.782
where: short stacking energy: -44.202
Base-Backbone interact. energy: -0.173
local terms energy: -73.694277
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -418.871282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.871282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.871282 (E_RNA)
where:
Base-Base interactions energy: -279.626
where: short stacking energy: -143.308
Base-Backbone interact. energy: 0.292
local terms energy: -139.537509
where:
bonds (distance) C4'-P energy: -28.054
bonds (distance) P-C4' energy: -25.598
flat angles C4'-P-C4' energy: -26.780
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -39.998
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: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -382.961257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.961257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.961257 (E_RNA)
where:
Base-Base interactions energy: -249.382
where: short stacking energy: -121.671
Base-Backbone interact. energy: -0.405
local terms energy: -133.174184
where:
bonds (distance) C4'-P energy: -25.961
bonds (distance) P-C4' energy: -27.234
flat angles C4'-P-C4' energy: -29.415
flat angles P-C4'-P energy: -18.791
tors. eta vs tors. theta energy: -31.773
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: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -361.536411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.536411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.536411 (E_RNA)
where:
Base-Base interactions energy: -230.500
where: short stacking energy: -131.447
Base-Backbone interact. energy: -0.824
local terms energy: -130.213250
where:
bonds (distance) C4'-P energy: -27.739
bonds (distance) P-C4' energy: -26.770
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -36.617
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: 458
Temperature: 1.050000
Total energy: -361.229238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.229238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.229238 (E_RNA)
where:
Base-Base interactions energy: -221.469
where: short stacking energy: -125.396
Base-Backbone interact. energy: -1.720
local terms energy: -138.039827
where:
bonds (distance) C4'-P energy: -27.904
bonds (distance) P-C4' energy: -23.288
flat angles C4'-P-C4' energy: -28.679
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -37.170
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: 5, replica: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -298.769372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.769372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.769372 (E_RNA)
where:
Base-Base interactions energy: -185.416
where: short stacking energy: -89.336
Base-Backbone interact. energy: -0.175
local terms energy: -113.178340
where:
bonds (distance) C4'-P energy: -23.963
bonds (distance) P-C4' energy: -24.944
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -23.141
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: 6, replica: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -277.827551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.827551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.827551 (E_RNA)
where:
Base-Base interactions energy: -163.624
where: short stacking energy: -95.875
Base-Backbone interact. energy: -0.010
local terms energy: -114.193822
where:
bonds (distance) C4'-P energy: -22.265
bonds (distance) P-C4' energy: -26.381
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -20.483
tors. eta vs tors. theta energy: -24.559
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: 458
Temperature: 1.200000
Total energy: -268.319063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.319063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.319063 (E_RNA)
where:
Base-Base interactions energy: -151.714
where: short stacking energy: -76.722
Base-Backbone interact. energy: -0.854
local terms energy: -115.751024
where:
bonds (distance) C4'-P energy: -27.398
bonds (distance) P-C4' energy: -25.475
flat angles C4'-P-C4' energy: -27.174
flat angles P-C4'-P energy: -17.677
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -222.550031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.550031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.550031 (E_RNA)
where:
Base-Base interactions energy: -127.991
where: short stacking energy: -78.346
Base-Backbone interact. energy: -0.463
local terms energy: -94.096086
where:
bonds (distance) C4'-P energy: -23.269
bonds (distance) P-C4' energy: -24.931
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -119.790257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.790257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.790257 (E_RNA)
where:
Base-Base interactions energy: -37.762
where: short stacking energy: -36.947
Base-Backbone interact. energy: -0.424
local terms energy: -81.603341
where:
bonds (distance) C4'-P energy: -25.930
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -22.332
flat angles P-C4'-P energy: -13.943
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: 10, replica: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -122.604711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.604711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.604711 (E_RNA)
where:
Base-Base interactions energy: -43.771
where: short stacking energy: -43.459
Base-Backbone interact. energy: -0.256
local terms energy: -78.577774
where:
bonds (distance) C4'-P energy: -20.643
bonds (distance) P-C4' energy: -28.380
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -8.284
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -427.524431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.524431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.524431 (E_RNA)
where:
Base-Base interactions energy: -282.319
where: short stacking energy: -139.645
Base-Backbone interact. energy: -0.496
local terms energy: -144.709062
where:
bonds (distance) C4'-P energy: -24.609
bonds (distance) P-C4' energy: -27.829
flat angles C4'-P-C4' energy: -31.254
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -42.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -382.434161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.434161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.434161 (E_RNA)
where:
Base-Base interactions energy: -254.413
where: short stacking energy: -114.865
Base-Backbone interact. energy: -1.359
local terms energy: -126.662335
where:
bonds (distance) C4'-P energy: -24.758
bonds (distance) P-C4' energy: -26.869
flat angles C4'-P-C4' energy: -24.996
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -32.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -354.462329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.462329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.462329 (E_RNA)
where:
Base-Base interactions energy: -230.081
where: short stacking energy: -128.660
Base-Backbone interact. energy: -0.709
local terms energy: -123.672341
where:
bonds (distance) C4'-P energy: -25.710
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -25.460
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -37.963
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: 1
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -332.553436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.553436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.553436 (E_RNA)
where:
Base-Base interactions energy: -204.940
where: short stacking energy: -118.613
Base-Backbone interact. energy: -0.907
local terms energy: -126.706763
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -26.404
flat angles C4'-P-C4' energy: -24.215
flat angles P-C4'-P energy: -18.508
tors. eta vs tors. theta energy: -35.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -292.749236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.749236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.749236 (E_RNA)
where:
Base-Base interactions energy: -171.344
where: short stacking energy: -108.764
Base-Backbone interact. energy: -0.227
local terms energy: -121.178971
where:
bonds (distance) C4'-P energy: -22.286
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -29.620
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -33.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -284.391801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.391801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.391801 (E_RNA)
where:
Base-Base interactions energy: -172.639
where: short stacking energy: -101.994
Base-Backbone interact. energy: -0.136
local terms energy: -111.616071
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -25.354
flat angles C4'-P-C4' energy: -26.935
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -24.190
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: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -264.628294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.628294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.628294 (E_RNA)
where:
Base-Base interactions energy: -150.552
where: short stacking energy: -80.805
Base-Backbone interact. energy: 0.140
local terms energy: -114.216166
where:
bonds (distance) C4'-P energy: -27.408
bonds (distance) P-C4' energy: -22.894
flat angles C4'-P-C4' energy: -27.107
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -254.643992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.643992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.643992 (E_RNA)
where:
Base-Base interactions energy: -147.757
where: short stacking energy: -83.527
Base-Backbone interact. energy: -0.081
local terms energy: -106.806016
where:
bonds (distance) C4'-P energy: -21.281
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -27.308
flat angles P-C4'-P energy: -15.010
tors. eta vs tors. theta energy: -21.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -136.502436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.502436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.502436 (E_RNA)
where:
Base-Base interactions energy: -54.214
where: short stacking energy: -39.455
Base-Backbone interact. energy: -0.247
local terms energy: -82.040826
where:
bonds (distance) C4'-P energy: -22.794
bonds (distance) P-C4' energy: -22.576
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -17.464
tors. eta vs tors. theta energy: -1.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -124.347353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.347353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.347353 (E_RNA)
where:
Base-Base interactions energy: -53.579
where: short stacking energy: -37.918
Base-Backbone interact. energy: -0.275
local terms energy: -70.493158
where:
bonds (distance) C4'-P energy: -21.322
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -4.266
tors. eta vs tors. theta energy: -0.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -420.894511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.894511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.894511 (E_RNA)
where:
Base-Base interactions energy: -275.252
where: short stacking energy: -135.131
Base-Backbone interact. energy: -0.046
local terms energy: -145.596450
where:
bonds (distance) C4'-P energy: -23.777
bonds (distance) P-C4' energy: -30.416
flat angles C4'-P-C4' energy: -31.074
flat angles P-C4'-P energy: -20.225
tors. eta vs tors. theta energy: -40.104
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: 2, replica: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -398.130533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.130533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.130533 (E_RNA)
where:
Base-Base interactions energy: -269.162
where: short stacking energy: -120.956
Base-Backbone interact. energy: -1.781
local terms energy: -127.188237
where:
bonds (distance) C4'-P energy: -28.260
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -26.186
flat angles P-C4'-P energy: -16.238
tors. eta vs tors. theta energy: -31.714
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: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -357.722182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.722182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.722182 (E_RNA)
where:
Base-Base interactions energy: -227.528
where: short stacking energy: -122.618
Base-Backbone interact. energy: -0.467
local terms energy: -129.726924
where:
bonds (distance) C4'-P energy: -24.621
bonds (distance) P-C4' energy: -28.704
flat angles C4'-P-C4' energy: -28.260
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -34.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -342.661749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.661749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.661749 (E_RNA)
where:
Base-Base interactions energy: -216.750
where: short stacking energy: -121.006
Base-Backbone interact. energy: -0.751
local terms energy: -125.160611
where:
bonds (distance) C4'-P energy: -21.988
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -28.664
flat angles P-C4'-P energy: -18.868
tors. eta vs tors. theta energy: -35.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -308.722800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.722800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.722800 (E_RNA)
where:
Base-Base interactions energy: -179.133
where: short stacking energy: -107.222
Base-Backbone interact. energy: -0.181
local terms energy: -129.408570
where:
bonds (distance) C4'-P energy: -24.020
bonds (distance) P-C4' energy: -26.539
flat angles C4'-P-C4' energy: -30.027
flat angles P-C4'-P energy: -20.039
tors. eta vs tors. theta energy: -28.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -273.725920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.725920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.725920 (E_RNA)
where:
Base-Base interactions energy: -164.464
where: short stacking energy: -90.057
Base-Backbone interact. energy: -1.019
local terms energy: -108.242863
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -23.489
flat angles C4'-P-C4' energy: -27.143
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -25.079
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: 5
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -217.800483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.800483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.800483 (E_RNA)
where:
Base-Base interactions energy: -122.620
where: short stacking energy: -64.931
Base-Backbone interact. energy: -0.164
local terms energy: -95.016035
where:
bonds (distance) C4'-P energy: -19.650
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -27.495
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -15.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -249.173375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.173375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.173375 (E_RNA)
where:
Base-Base interactions energy: -151.587
where: short stacking energy: -74.712
Base-Backbone interact. energy: 2.602
local terms energy: -100.188195
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -23.759
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -15.651
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: 10
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -126.592243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.592243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.592243 (E_RNA)
where:
Base-Base interactions energy: -45.830
where: short stacking energy: -41.660
Base-Backbone interact. energy: 1.359
local terms energy: -82.121396
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -22.635
flat angles C4'-P-C4' energy: -23.539
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -152.870015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.870015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.870015 (E_RNA)
where:
Base-Base interactions energy: -68.778
where: short stacking energy: -61.329
Base-Backbone interact. energy: -0.024
local terms energy: -84.068366
where:
bonds (distance) C4'-P energy: -19.231
bonds (distance) P-C4' energy: -23.629
flat angles C4'-P-C4' energy: -26.667
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -430.205631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.205631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.205631 (E_RNA)
where:
Base-Base interactions energy: -289.006
where: short stacking energy: -151.242
Base-Backbone interact. energy: 0.956
local terms energy: -142.155245
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -28.346
flat angles C4'-P-C4' energy: -26.617
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -41.218
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: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -394.398311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.398311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.398311 (E_RNA)
where:
Base-Base interactions energy: -261.857
where: short stacking energy: -126.776
Base-Backbone interact. energy: -1.226
local terms energy: -131.314880
where:
bonds (distance) C4'-P energy: -23.627
bonds (distance) P-C4' energy: -26.509
flat angles C4'-P-C4' energy: -28.827
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -33.694
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: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -343.955440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.955440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.955440 (E_RNA)
where:
Base-Base interactions energy: -223.525
where: short stacking energy: -114.469
Base-Backbone interact. energy: -0.032
local terms energy: -120.398109
where:
bonds (distance) C4'-P energy: -25.694
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -30.501
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: 461
Temperature: 1.050000
Total energy: -318.390202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.390202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.390202 (E_RNA)
where:
Base-Base interactions energy: -194.269
where: short stacking energy: -104.953
Base-Backbone interact. energy: -0.888
local terms energy: -123.232635
where:
bonds (distance) C4'-P energy: -28.110
bonds (distance) P-C4' energy: -23.977
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -18.957
tors. eta vs tors. theta energy: -28.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -319.627465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.627465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.627465 (E_RNA)
where:
Base-Base interactions energy: -195.431
where: short stacking energy: -101.715
Base-Backbone interact. energy: -2.136
local terms energy: -122.061142
where:
bonds (distance) C4'-P energy: -26.812
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -27.004
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -286.606133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.606133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.606133 (E_RNA)
where:
Base-Base interactions energy: -169.634
where: short stacking energy: -97.839
Base-Backbone interact. energy: -0.890
local terms energy: -116.082298
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -27.772
flat angles C4'-P-C4' energy: -30.267
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -20.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -243.175039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.175039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.175039 (E_RNA)
where:
Base-Base interactions energy: -150.491
where: short stacking energy: -73.679
Base-Backbone interact. energy: -0.387
local terms energy: -92.296922
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -23.601
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -10.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -229.016632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.016632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.016632 (E_RNA)
where:
Base-Base interactions energy: -136.282
where: short stacking energy: -68.987
Base-Backbone interact. energy: -0.897
local terms energy: -91.837188
where:
bonds (distance) C4'-P energy: -23.996
bonds (distance) P-C4' energy: -24.447
flat angles C4'-P-C4' energy: -24.230
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -147.056631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.056631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.056631 (E_RNA)
where:
Base-Base interactions energy: -49.028
where: short stacking energy: -49.028
Base-Backbone interact. energy: -0.142
local terms energy: -97.886634
where:
bonds (distance) C4'-P energy: -25.074
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -26.126
flat angles P-C4'-P energy: -21.153
tors. eta vs tors. theta energy: -4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -121.517219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.517219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.517219 (E_RNA)
where:
Base-Base interactions energy: -49.955
where: short stacking energy: -39.307
Base-Backbone interact. energy: -0.295
local terms energy: -71.267291
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -20.760
flat angles P-C4'-P energy: -9.896
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -401.310958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.310958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.310958 (E_RNA)
where:
Base-Base interactions energy: -266.140
where: short stacking energy: -136.226
Base-Backbone interact. energy: -3.041
local terms energy: -132.130865
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -32.125
flat angles P-C4'-P energy: -20.035
tors. eta vs tors. theta energy: -35.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -418.067171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.067171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.067171 (E_RNA)
where:
Base-Base interactions energy: -275.961
where: short stacking energy: -134.269
Base-Backbone interact. energy: -0.565
local terms energy: -141.541569
where:
bonds (distance) C4'-P energy: -22.801
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -29.383
flat angles P-C4'-P energy: -24.741
tors. eta vs tors. theta energy: -41.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -356.252498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.252498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.252498 (E_RNA)
where:
Base-Base interactions energy: -220.341
where: short stacking energy: -115.750
Base-Backbone interact. energy: -0.534
local terms energy: -135.378030
where:
bonds (distance) C4'-P energy: -27.881
bonds (distance) P-C4' energy: -24.821
flat angles C4'-P-C4' energy: -27.376
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -35.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -322.149622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.149622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.149622 (E_RNA)
where:
Base-Base interactions energy: -199.379
where: short stacking energy: -120.947
Base-Backbone interact. energy: -0.180
local terms energy: -122.590789
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -26.896
flat angles P-C4'-P energy: -21.453
tors. eta vs tors. theta energy: -29.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -331.997564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.997564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.997564 (E_RNA)
where:
Base-Base interactions energy: -207.655
where: short stacking energy: -114.228
Base-Backbone interact. energy: -0.439
local terms energy: -123.903733
where:
bonds (distance) C4'-P energy: -25.607
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -24.272
flat angles P-C4'-P energy: -18.033
tors. eta vs tors. theta energy: -29.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -250.177736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.177736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.177736 (E_RNA)
where:
Base-Base interactions energy: -144.792
where: short stacking energy: -82.548
Base-Backbone interact. energy: -1.127
local terms energy: -104.259211
where:
bonds (distance) C4'-P energy: -20.225
bonds (distance) P-C4' energy: -23.654
flat angles C4'-P-C4' energy: -25.918
flat angles P-C4'-P energy: -19.066
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: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -241.299221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.299221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.299221 (E_RNA)
where:
Base-Base interactions energy: -137.982
where: short stacking energy: -81.281
Base-Backbone interact. energy: -0.178
local terms energy: -103.139611
where:
bonds (distance) C4'-P energy: -22.960
bonds (distance) P-C4' energy: -24.937
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -210.851290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.851290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.851290 (E_RNA)
where:
Base-Base interactions energy: -121.494
where: short stacking energy: -66.026
Base-Backbone interact. energy: -0.303
local terms energy: -89.054789
where:
bonds (distance) C4'-P energy: -25.937
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -25.479
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -10.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -139.811313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.811313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.811313 (E_RNA)
where:
Base-Base interactions energy: -64.221
where: short stacking energy: -64.221
Base-Backbone interact. energy: -0.089
local terms energy: -75.502097
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -19.476
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -142.161839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.161839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.161839 (E_RNA)
where:
Base-Base interactions energy: -69.493
where: short stacking energy: -47.792
Base-Backbone interact. energy: -0.348
local terms energy: -72.321299
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -11.227
flat angles P-C4'-P energy: -14.908
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -406.396872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.396872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.396872 (E_RNA)
where:
Base-Base interactions energy: -271.896
where: short stacking energy: -132.308
Base-Backbone interact. energy: -1.959
local terms energy: -132.541136
where:
bonds (distance) C4'-P energy: -22.502
bonds (distance) P-C4' energy: -28.363
flat angles C4'-P-C4' energy: -27.736
flat angles P-C4'-P energy: -19.657
tors. eta vs tors. theta energy: -34.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -416.883769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.883769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.883769 (E_RNA)
where:
Base-Base interactions energy: -276.617
where: short stacking energy: -146.078
Base-Backbone interact. energy: -0.006
local terms energy: -140.260645
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -27.066
flat angles C4'-P-C4' energy: -29.419
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -44.848
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: 463
Temperature: 1.000000
Total energy: -365.342367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.342367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.342367 (E_RNA)
where:
Base-Base interactions energy: -235.593
where: short stacking energy: -128.013
Base-Backbone interact. energy: 0.268
local terms energy: -130.017477
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -29.194
flat angles P-C4'-P energy: -18.484
tors. eta vs tors. theta energy: -36.864
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: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -337.317663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.317663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.317663 (E_RNA)
where:
Base-Base interactions energy: -212.481
where: short stacking energy: -115.747
Base-Backbone interact. energy: -0.516
local terms energy: -124.320271
where:
bonds (distance) C4'-P energy: -23.549
bonds (distance) P-C4' energy: -25.494
flat angles C4'-P-C4' energy: -25.695
flat angles P-C4'-P energy: -17.414
tors. eta vs tors. theta energy: -32.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -288.732961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.732961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.732961 (E_RNA)
where:
Base-Base interactions energy: -173.775
where: short stacking energy: -101.633
Base-Backbone interact. energy: -0.870
local terms energy: -114.087785
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -27.151
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: -29.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -257.091274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.091274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.091274 (E_RNA)
where:
Base-Base interactions energy: -155.728
where: short stacking energy: -90.948
Base-Backbone interact. energy: -0.114
local terms energy: -101.249650
where:
bonds (distance) C4'-P energy: -27.937
bonds (distance) P-C4' energy: -26.647
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -9.630
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: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -222.976350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.976350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.976350 (E_RNA)
where:
Base-Base interactions energy: -133.141
where: short stacking energy: -76.364
Base-Backbone interact. energy: 0.037
local terms energy: -89.872225
where:
bonds (distance) C4'-P energy: -27.358
bonds (distance) P-C4' energy: -23.350
flat angles C4'-P-C4' energy: -23.816
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -7.839
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: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -206.612925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.612925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.612925 (E_RNA)
where:
Base-Base interactions energy: -109.699
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.304
local terms energy: -96.609996
where:
bonds (distance) C4'-P energy: -26.816
bonds (distance) P-C4' energy: -26.719
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -9.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -136.915847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.915847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.915847 (E_RNA)
where:
Base-Base interactions energy: -51.163
where: short stacking energy: -47.440
Base-Backbone interact. energy: -0.261
local terms energy: -85.491291
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -29.334
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -123.544632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.544632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.544632 (E_RNA)
where:
Base-Base interactions energy: -44.211
where: short stacking energy: -30.490
Base-Backbone interact. energy: -1.498
local terms energy: -77.835113
where:
bonds (distance) C4'-P energy: -26.364
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: 2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -425.223462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.223462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.223462 (E_RNA)
where:
Base-Base interactions energy: -272.434
where: short stacking energy: -137.164
Base-Backbone interact. energy: -0.213
local terms energy: -152.575994
where:
bonds (distance) C4'-P energy: -27.452
bonds (distance) P-C4' energy: -26.848
flat angles C4'-P-C4' energy: -29.303
flat angles P-C4'-P energy: -24.868
tors. eta vs tors. theta energy: -44.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -408.566981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.566981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.566981 (E_RNA)
where:
Base-Base interactions energy: -281.664
where: short stacking energy: -130.869
Base-Backbone interact. energy: -0.826
local terms energy: -126.076458
where:
bonds (distance) C4'-P energy: -20.835
bonds (distance) P-C4' energy: -26.570
flat angles C4'-P-C4' energy: -27.442
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -37.198
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: 464
Temperature: 1.000000
Total energy: -365.116947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.116947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.116947 (E_RNA)
where:
Base-Base interactions energy: -228.571
where: short stacking energy: -115.197
Base-Backbone interact. energy: -0.499
local terms energy: -136.046730
where:
bonds (distance) C4'-P energy: -28.708
bonds (distance) P-C4' energy: -27.329
flat angles C4'-P-C4' energy: -25.658
flat angles P-C4'-P energy: -20.066
tors. eta vs tors. theta energy: -34.285
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: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -327.376695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.376695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.376695 (E_RNA)
where:
Base-Base interactions energy: -207.918
where: short stacking energy: -116.056
Base-Backbone interact. energy: -0.973
local terms energy: -118.486105
where:
bonds (distance) C4'-P energy: -22.908
bonds (distance) P-C4' energy: -27.608
flat angles C4'-P-C4' energy: -28.495
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -30.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -280.423552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.423552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.423552 (E_RNA)
where:
Base-Base interactions energy: -166.492
where: short stacking energy: -102.529
Base-Backbone interact. energy: -0.235
local terms energy: -113.696429
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -27.097
flat angles C4'-P-C4' energy: -23.760
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -26.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -247.292075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.292075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.292075 (E_RNA)
where:
Base-Base interactions energy: -146.123
where: short stacking energy: -75.145
Base-Backbone interact. energy: -0.006
local terms energy: -101.163473
where:
bonds (distance) C4'-P energy: -28.240
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -26.344
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -232.321319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.321319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.321319 (E_RNA)
where:
Base-Base interactions energy: -138.846
where: short stacking energy: -75.180
Base-Backbone interact. energy: -0.276
local terms energy: -93.198480
where:
bonds (distance) C4'-P energy: -24.567
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -24.695
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -14.367
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: 8, replica: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -140.142182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.142182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.142182 (E_RNA)
where:
Base-Base interactions energy: -56.220
where: short stacking energy: -53.091
Base-Backbone interact. energy: -0.398
local terms energy: -83.524328
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -23.831
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -5.231
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: 464
Temperature: 1.300000
Total energy: -143.654205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.654205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.654205 (E_RNA)
where:
Base-Base interactions energy: -59.186
where: short stacking energy: -42.741
Base-Backbone interact. energy: -0.873
local terms energy: -83.595082
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -25.602
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -127.386591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.386591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.386591 (E_RNA)
where:
Base-Base interactions energy: -41.493
where: short stacking energy: -30.464
Base-Backbone interact. energy: -0.871
local terms energy: -85.022696
where:
bonds (distance) C4'-P energy: -24.759
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -25.359
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -428.310980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.310980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.310980 (E_RNA)
where:
Base-Base interactions energy: -282.033
where: short stacking energy: -145.004
Base-Backbone interact. energy: -0.153
local terms energy: -146.125362
where:
bonds (distance) C4'-P energy: -21.586
bonds (distance) P-C4' energy: -27.858
flat angles C4'-P-C4' energy: -31.991
flat angles P-C4'-P energy: -21.227
tors. eta vs tors. theta energy: -43.464
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: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -399.104019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.104019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.104019 (E_RNA)
where:
Base-Base interactions energy: -260.250
where: short stacking energy: -117.668
Base-Backbone interact. energy: -1.112
local terms energy: -137.742317
where:
bonds (distance) C4'-P energy: -27.056
bonds (distance) P-C4' energy: -30.652
flat angles C4'-P-C4' energy: -23.998
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -34.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -363.343145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.343145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.343145 (E_RNA)
where:
Base-Base interactions energy: -226.724
where: short stacking energy: -124.805
Base-Backbone interact. energy: -0.045
local terms energy: -136.573968
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -27.611
flat angles C4'-P-C4' energy: -28.778
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -37.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -316.202634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.202634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.202634 (E_RNA)
where:
Base-Base interactions energy: -192.792
where: short stacking energy: -106.518
Base-Backbone interact. energy: -1.312
local terms energy: -122.098897
where:
bonds (distance) C4'-P energy: -25.989
bonds (distance) P-C4' energy: -26.757
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -28.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -263.414607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.414607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.414607 (E_RNA)
where:
Base-Base interactions energy: -158.301
where: short stacking energy: -90.208
Base-Backbone interact. energy: 1.506
local terms energy: -106.619063
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -30.809
flat angles C4'-P-C4' energy: -26.118
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -16.233
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: 7
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -252.444897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.444897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.444897 (E_RNA)
where:
Base-Base interactions energy: -140.477
where: short stacking energy: -80.150
Base-Backbone interact. energy: -1.053
local terms energy: -110.914785
where:
bonds (distance) C4'-P energy: -24.042
bonds (distance) P-C4' energy: -25.917
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -18.582
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: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -232.435827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.435827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.435827 (E_RNA)
where:
Base-Base interactions energy: -128.008
where: short stacking energy: -74.540
Base-Backbone interact. energy: -0.953
local terms energy: -103.475117
where:
bonds (distance) C4'-P energy: -24.218
bonds (distance) P-C4' energy: -25.375
flat angles C4'-P-C4' energy: -24.435
flat angles P-C4'-P energy: -14.192
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: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -138.532543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.532543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.532543 (E_RNA)
where:
Base-Base interactions energy: -49.324
where: short stacking energy: -49.324
Base-Backbone interact. energy: -0.396
local terms energy: -88.812502
where:
bonds (distance) C4'-P energy: -24.054
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -26.294
flat angles P-C4'-P energy: -16.548
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: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -139.230848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.230848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.230848 (E_RNA)
where:
Base-Base interactions energy: -56.066
where: short stacking energy: -54.491
Base-Backbone interact. energy: -0.133
local terms energy: -83.031861
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -20.189
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -121.885611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.885611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.885611 (E_RNA)
where:
Base-Base interactions energy: -39.294
where: short stacking energy: -37.835
Base-Backbone interact. energy: 0.114
local terms energy: -82.705323
where:
bonds (distance) C4'-P energy: -23.649
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -21.894
flat angles P-C4'-P energy: -16.991
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -436.237713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.237713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.237713 (E_RNA)
where:
Base-Base interactions energy: -284.537
where: short stacking energy: -138.279
Base-Backbone interact. energy: -0.946
local terms energy: -150.755046
where:
bonds (distance) C4'-P energy: -28.893
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -29.401
flat angles P-C4'-P energy: -18.678
tors. eta vs tors. theta energy: -44.138
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: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -400.236670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.236670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.236670 (E_RNA)
where:
Base-Base interactions energy: -267.894
where: short stacking energy: -120.187
Base-Backbone interact. energy: -0.712
local terms energy: -131.630318
where:
bonds (distance) C4'-P energy: -27.573
bonds (distance) P-C4' energy: -26.526
flat angles C4'-P-C4' energy: -24.167
flat angles P-C4'-P energy: -20.989
tors. eta vs tors. theta energy: -32.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -359.062777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.062777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.062777 (E_RNA)
where:
Base-Base interactions energy: -228.930
where: short stacking energy: -127.398
Base-Backbone interact. energy: -0.554
local terms energy: -129.578740
where:
bonds (distance) C4'-P energy: -25.415
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -27.338
flat angles P-C4'-P energy: -19.792
tors. eta vs tors. theta energy: -31.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -333.374064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.374064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.374064 (E_RNA)
where:
Base-Base interactions energy: -212.931
where: short stacking energy: -105.760
Base-Backbone interact. energy: 2.649
local terms energy: -123.092106
where:
bonds (distance) C4'-P energy: -26.856
bonds (distance) P-C4' energy: -27.635
flat angles C4'-P-C4' energy: -24.181
flat angles P-C4'-P energy: -19.761
tors. eta vs tors. theta energy: -24.660
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: 466
Temperature: 1.100000
Total energy: -283.780451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.780451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.780451 (E_RNA)
where:
Base-Base interactions energy: -173.832
where: short stacking energy: -93.943
Base-Backbone interact. energy: -0.351
local terms energy: -109.596977
where:
bonds (distance) C4'-P energy: -27.855
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -26.955
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -24.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -241.917988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.917988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.917988 (E_RNA)
where:
Base-Base interactions energy: -133.252
where: short stacking energy: -76.065
Base-Backbone interact. energy: -0.232
local terms energy: -108.434548
where:
bonds (distance) C4'-P energy: -21.816
bonds (distance) P-C4' energy: -25.659
flat angles C4'-P-C4' energy: -28.249
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -253.341868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.341868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.341868 (E_RNA)
where:
Base-Base interactions energy: -136.553
where: short stacking energy: -77.716
Base-Backbone interact. energy: -0.028
local terms energy: -116.761270
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -28.800
flat angles C4'-P-C4' energy: -25.866
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -27.270
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: 466
Temperature: 1.250000
Total energy: -146.503272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.503272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.503272 (E_RNA)
where:
Base-Base interactions energy: -50.848
where: short stacking energy: -49.730
Base-Backbone interact. energy: -0.456
local terms energy: -95.199806
where:
bonds (distance) C4'-P energy: -25.507
bonds (distance) P-C4' energy: -26.835
flat angles C4'-P-C4' energy: -20.041
flat angles P-C4'-P energy: -22.096
tors. eta vs tors. theta energy: -0.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -130.540821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.540821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.540821 (E_RNA)
where:
Base-Base interactions energy: -60.687
where: short stacking energy: -56.924
Base-Backbone interact. energy: -1.155
local terms energy: -68.698423
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -129.164341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.164341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.164341 (E_RNA)
where:
Base-Base interactions energy: -44.895
where: short stacking energy: -44.895
Base-Backbone interact. energy: -0.335
local terms energy: -83.934955
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -24.683
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -7.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -426.806783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.806783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.806783 (E_RNA)
where:
Base-Base interactions energy: -286.489
where: short stacking energy: -146.902
Base-Backbone interact. energy: 0.403
local terms energy: -140.721091
where:
bonds (distance) C4'-P energy: -26.448
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -29.383
flat angles P-C4'-P energy: -20.640
tors. eta vs tors. theta energy: -40.890
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: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -378.788627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.788627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.788627 (E_RNA)
where:
Base-Base interactions energy: -260.262
where: short stacking energy: -112.340
Base-Backbone interact. energy: 0.788
local terms energy: -119.314601
where:
bonds (distance) C4'-P energy: -25.106
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -31.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -361.966836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.966836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.966836 (E_RNA)
where:
Base-Base interactions energy: -224.767
where: short stacking energy: -117.141
Base-Backbone interact. energy: -0.995
local terms energy: -136.205007
where:
bonds (distance) C4'-P energy: -27.727
bonds (distance) P-C4' energy: -26.839
flat angles C4'-P-C4' energy: -27.152
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -37.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -326.934066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.934066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.934066 (E_RNA)
where:
Base-Base interactions energy: -210.810
where: short stacking energy: -111.044
Base-Backbone interact. energy: -0.208
local terms energy: -115.915607
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -26.501
flat angles P-C4'-P energy: -18.118
tors. eta vs tors. theta energy: -32.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -288.578053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.578053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.578053 (E_RNA)
where:
Base-Base interactions energy: -177.497
where: short stacking energy: -95.438
Base-Backbone interact. energy: -0.168
local terms energy: -110.913303
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -16.235
tors. eta vs tors. theta energy: -23.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -277.504274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.504274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.504274 (E_RNA)
where:
Base-Base interactions energy: -178.385
where: short stacking energy: -86.203
Base-Backbone interact. energy: -1.512
local terms energy: -97.607037
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -30.734
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -18.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -245.030081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.030081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.030081 (E_RNA)
where:
Base-Base interactions energy: -151.550
where: short stacking energy: -76.583
Base-Backbone interact. energy: -1.171
local terms energy: -92.309220
where:
bonds (distance) C4'-P energy: -20.170
bonds (distance) P-C4' energy: -23.986
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -15.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -143.080893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.080893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.080893 (E_RNA)
where:
Base-Base interactions energy: -60.118
where: short stacking energy: -59.462
Base-Backbone interact. energy: -0.625
local terms energy: -82.337327
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -26.279
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -5.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -126.274718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.274718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.274718 (E_RNA)
where:
Base-Base interactions energy: -53.371
where: short stacking energy: -48.314
Base-Backbone interact. energy: 0.429
local terms energy: -73.332441
where:
bonds (distance) C4'-P energy: -20.875
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -5.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -125.044991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.044991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.044991 (E_RNA)
where:
Base-Base interactions energy: -54.183
where: short stacking energy: -54.183
Base-Backbone interact. energy: -0.327
local terms energy: -70.534986
where:
bonds (distance) C4'-P energy: -22.078
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -398.009124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.009124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.009124 (E_RNA)
where:
Base-Base interactions energy: -253.993
where: short stacking energy: -109.479
Base-Backbone interact. energy: -0.850
local terms energy: -143.165939
where:
bonds (distance) C4'-P energy: -30.641
bonds (distance) P-C4' energy: -31.536
flat angles C4'-P-C4' energy: -30.631
flat angles P-C4'-P energy: -21.153
tors. eta vs tors. theta energy: -29.205
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: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -420.991551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.991551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.991551 (E_RNA)
where:
Base-Base interactions energy: -280.893
where: short stacking energy: -141.734
Base-Backbone interact. energy: -0.010
local terms energy: -140.088546
where:
bonds (distance) C4'-P energy: -27.511
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -26.880
flat angles P-C4'-P energy: -22.023
tors. eta vs tors. theta energy: -44.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -340.705056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.705056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.705056 (E_RNA)
where:
Base-Base interactions energy: -207.512
where: short stacking energy: -121.337
Base-Backbone interact. energy: -0.107
local terms energy: -133.086129
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -27.227
flat angles C4'-P-C4' energy: -30.348
flat angles P-C4'-P energy: -18.255
tors. eta vs tors. theta energy: -35.197
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: 4, replica: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -347.059624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.059624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.059624 (E_RNA)
where:
Base-Base interactions energy: -217.909
where: short stacking energy: -117.901
Base-Backbone interact. energy: -0.413
local terms energy: -128.737355
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -26.195
flat angles C4'-P-C4' energy: -29.665
flat angles P-C4'-P energy: -23.688
tors. eta vs tors. theta energy: -29.411
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: 5, replica: 7
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -314.070344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.070344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.070344 (E_RNA)
where:
Base-Base interactions energy: -208.235
where: short stacking energy: -109.899
Base-Backbone interact. energy: 1.949
local terms energy: -107.783845
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -24.729
flat angles C4'-P-C4' energy: -25.489
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -25.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -294.446139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.446139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.446139 (E_RNA)
where:
Base-Base interactions energy: -174.994
where: short stacking energy: -91.236
Base-Backbone interact. energy: 0.096
local terms energy: -119.547810
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -29.252
flat angles C4'-P-C4' energy: -25.677
flat angles P-C4'-P energy: -22.997
tors. eta vs tors. theta energy: -24.739
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: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -254.429678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.429678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.429678 (E_RNA)
where:
Base-Base interactions energy: -158.896
where: short stacking energy: -86.375
Base-Backbone interact. energy: -0.066
local terms energy: -95.467708
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -25.253
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -139.694518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.694518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.694518 (E_RNA)
where:
Base-Base interactions energy: -56.413
where: short stacking energy: -56.413
Base-Backbone interact. energy: -0.331
local terms energy: -82.950838
where:
bonds (distance) C4'-P energy: -24.708
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -135.459573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.459573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.459573 (E_RNA)
where:
Base-Base interactions energy: -50.323
where: short stacking energy: -46.427
Base-Backbone interact. energy: 0.439
local terms energy: -85.575185
where:
bonds (distance) C4'-P energy: -23.594
bonds (distance) P-C4' energy: -25.344
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -7.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -130.982887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.982887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.982887 (E_RNA)
where:
Base-Base interactions energy: -55.423
where: short stacking energy: -50.407
Base-Backbone interact. energy: -1.830
local terms energy: -73.729458
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -18.254
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -8.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -390.795301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.795301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.795301 (E_RNA)
where:
Base-Base interactions energy: -261.750
where: short stacking energy: -119.354
Base-Backbone interact. energy: -1.163
local terms energy: -127.882203
where:
bonds (distance) C4'-P energy: -27.155
bonds (distance) P-C4' energy: -26.024
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -17.923
tors. eta vs tors. theta energy: -30.453
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: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -419.647669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.647669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.647669 (E_RNA)
where:
Base-Base interactions energy: -276.370
where: short stacking energy: -136.700
Base-Backbone interact. energy: -1.116
local terms energy: -142.162045
where:
bonds (distance) C4'-P energy: -24.807
bonds (distance) P-C4' energy: -23.999
flat angles C4'-P-C4' energy: -29.846
flat angles P-C4'-P energy: -18.827
tors. eta vs tors. theta energy: -44.684
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: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -347.840753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.840753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.840753 (E_RNA)
where:
Base-Base interactions energy: -217.495
where: short stacking energy: -117.420
Base-Backbone interact. energy: -1.558
local terms energy: -128.788182
where:
bonds (distance) C4'-P energy: -23.044
bonds (distance) P-C4' energy: -29.617
flat angles C4'-P-C4' energy: -27.194
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -30.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -350.124361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.124361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.124361 (E_RNA)
where:
Base-Base interactions energy: -207.490
where: short stacking energy: -108.801
Base-Backbone interact. energy: -0.181
local terms energy: -142.452964
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -26.163
flat angles C4'-P-C4' energy: -30.819
flat angles P-C4'-P energy: -24.254
tors. eta vs tors. theta energy: -37.231
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: 7
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -286.714785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.714785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.714785 (E_RNA)
where:
Base-Base interactions energy: -180.905
where: short stacking energy: -108.190
Base-Backbone interact. energy: -1.416
local terms energy: -104.393500
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -24.104
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -19.786
tors. eta vs tors. theta energy: -21.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -258.460125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.460125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.460125 (E_RNA)
where:
Base-Base interactions energy: -149.787
where: short stacking energy: -76.935
Base-Backbone interact. energy: 0.249
local terms energy: -108.922388
where:
bonds (distance) C4'-P energy: -27.626
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -26.795
flat angles P-C4'-P energy: -14.118
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: 7, replica: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -284.207451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.207451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.207451 (E_RNA)
where:
Base-Base interactions energy: -169.778
where: short stacking energy: -84.190
Base-Backbone interact. energy: -0.780
local terms energy: -113.649836
where:
bonds (distance) C4'-P energy: -26.206
bonds (distance) P-C4' energy: -24.742
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -20.145
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -136.338152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.338152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.338152 (E_RNA)
where:
Base-Base interactions energy: -56.310
where: short stacking energy: -56.310
Base-Backbone interact. energy: -0.112
local terms energy: -79.915889
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -25.289
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -7.847
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: 469
Temperature: 1.300000
Total energy: -132.040213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.040213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.040213 (E_RNA)
where:
Base-Base interactions energy: -51.713
where: short stacking energy: -45.703
Base-Backbone interact. energy: -0.118
local terms energy: -80.209513
where:
bonds (distance) C4'-P energy: -22.816
bonds (distance) P-C4' energy: -25.020
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -8.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -130.913615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.913615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.913615 (E_RNA)
where:
Base-Base interactions energy: -36.235
where: short stacking energy: -30.478
Base-Backbone interact. energy: -0.092
local terms energy: -94.586913
where:
bonds (distance) C4'-P energy: -26.472
bonds (distance) P-C4' energy: -26.281
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -5.589
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -424.537019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.537019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.537019 (E_RNA)
where:
Base-Base interactions energy: -276.142
where: short stacking energy: -141.572
Base-Backbone interact. energy: -0.004
local terms energy: -148.391188
where:
bonds (distance) C4'-P energy: -26.847
bonds (distance) P-C4' energy: -30.049
flat angles C4'-P-C4' energy: -29.014
flat angles P-C4'-P energy: -16.969
tors. eta vs tors. theta energy: -45.512
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: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -402.034992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.034992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.034992 (E_RNA)
where:
Base-Base interactions energy: -285.763
where: short stacking energy: -125.180
Base-Backbone interact. energy: -0.002
local terms energy: -116.269595
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -27.951
flat angles P-C4'-P energy: -19.815
tors. eta vs tors. theta energy: -33.037
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: 9
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -361.650010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.650010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.650010 (E_RNA)
where:
Base-Base interactions energy: -233.289
where: short stacking energy: -126.414
Base-Backbone interact. energy: -0.150
local terms energy: -128.210556
where:
bonds (distance) C4'-P energy: -23.288
bonds (distance) P-C4' energy: -24.767
flat angles C4'-P-C4' energy: -25.015
flat angles P-C4'-P energy: -20.712
tors. eta vs tors. theta energy: -34.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -336.343353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.343353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.343353 (E_RNA)
where:
Base-Base interactions energy: -208.080
where: short stacking energy: -117.594
Base-Backbone interact. energy: -0.310
local terms energy: -127.953451
where:
bonds (distance) C4'-P energy: -24.515
bonds (distance) P-C4' energy: -24.055
flat angles C4'-P-C4' energy: -27.570
flat angles P-C4'-P energy: -21.474
tors. eta vs tors. theta energy: -30.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -280.135354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.135354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.135354 (E_RNA)
where:
Base-Base interactions energy: -167.006
where: short stacking energy: -96.059
Base-Backbone interact. energy: -0.329
local terms energy: -112.800265
where:
bonds (distance) C4'-P energy: -26.957
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -21.457
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -27.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -262.658811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.658811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.658811 (E_RNA)
where:
Base-Base interactions energy: -147.020
where: short stacking energy: -85.365
Base-Backbone interact. energy: -0.073
local terms energy: -115.566155
where:
bonds (distance) C4'-P energy: -23.259
bonds (distance) P-C4' energy: -27.043
flat angles C4'-P-C4' energy: -27.300
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -266.844198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.844198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.844198 (E_RNA)
where:
Base-Base interactions energy: -161.255
where: short stacking energy: -91.495
Base-Backbone interact. energy: -0.198
local terms energy: -105.390681
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -28.999
flat angles C4'-P-C4' energy: -23.478
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -22.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -135.262539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.262539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.262539 (E_RNA)
where:
Base-Base interactions energy: -54.127
where: short stacking energy: -54.327
Base-Backbone interact. energy: 0.266
local terms energy: -81.401527
where:
bonds (distance) C4'-P energy: -25.469
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -24.097
flat angles P-C4'-P energy: -8.477
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: 9, replica: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -148.929086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.929086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.929086 (E_RNA)
where:
Base-Base interactions energy: -54.329
where: short stacking energy: -53.220
Base-Backbone interact. energy: -0.128
local terms energy: -94.472623
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -24.470
flat angles C4'-P-C4' energy: -23.961
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: -7.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -125.029768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.029768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.029768 (E_RNA)
where:
Base-Base interactions energy: -36.861
where: short stacking energy: -35.658
Base-Backbone interact. energy: -1.117
local terms energy: -87.051195
where:
bonds (distance) C4'-P energy: -26.373
bonds (distance) P-C4' energy: -25.326
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -9.911
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -424.782911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.782911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.782911 (E_RNA)
where:
Base-Base interactions energy: -276.412
where: short stacking energy: -136.784
Base-Backbone interact. energy: -0.068
local terms energy: -148.302906
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -27.163
flat angles C4'-P-C4' energy: -32.537
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -43.328
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: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -408.848723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.848723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.848723 (E_RNA)
where:
Base-Base interactions energy: -276.981
where: short stacking energy: -122.983
Base-Backbone interact. energy: -0.966
local terms energy: -130.901910
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -27.382
flat angles C4'-P-C4' energy: -25.532
flat angles P-C4'-P energy: -16.868
tors. eta vs tors. theta energy: -36.469
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: 9
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -383.748803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.748803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.748803 (E_RNA)
where:
Base-Base interactions energy: -254.459
where: short stacking energy: -128.284
Base-Backbone interact. energy: -1.674
local terms energy: -127.615894
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -24.770
flat angles C4'-P-C4' energy: -28.371
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -34.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -322.300224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.300224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.300224 (E_RNA)
where:
Base-Base interactions energy: -200.529
where: short stacking energy: -106.582
Base-Backbone interact. energy: 0.127
local terms energy: -121.897585
where:
bonds (distance) C4'-P energy: -23.527
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -25.826
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -30.609
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: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -282.890447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.890447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.890447 (E_RNA)
where:
Base-Base interactions energy: -168.182
where: short stacking energy: -104.684
Base-Backbone interact. energy: -0.006
local terms energy: -114.702753
where:
bonds (distance) C4'-P energy: -24.071
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -26.159
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: 471
Temperature: 1.150000
Total energy: -259.885334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.885334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.885334 (E_RNA)
where:
Base-Base interactions energy: -150.664
where: short stacking energy: -86.868
Base-Backbone interact. energy: -0.719
local terms energy: -108.502658
where:
bonds (distance) C4'-P energy: -23.392
bonds (distance) P-C4' energy: -24.470
flat angles C4'-P-C4' energy: -24.866
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -21.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -246.786908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.786908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.786908 (E_RNA)
where:
Base-Base interactions energy: -142.919
where: short stacking energy: -69.809
Base-Backbone interact. energy: -1.527
local terms energy: -102.341398
where:
bonds (distance) C4'-P energy: -20.585
bonds (distance) P-C4' energy: -26.564
flat angles C4'-P-C4' energy: -25.279
flat angles P-C4'-P energy: -16.234
tors. eta vs tors. theta energy: -13.679
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: 3
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -137.633539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.633539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.633539 (E_RNA)
where:
Base-Base interactions energy: -46.310
where: short stacking energy: -42.968
Base-Backbone interact. energy: -0.493
local terms energy: -90.830150
where:
bonds (distance) C4'-P energy: -24.617
bonds (distance) P-C4' energy: -26.293
flat angles C4'-P-C4' energy: -24.581
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -135.931613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.931613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.931613 (E_RNA)
where:
Base-Base interactions energy: -50.691
where: short stacking energy: -50.691
Base-Backbone interact. energy: -0.375
local terms energy: -84.865984
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -23.526
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -121.282344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.282344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.282344 (E_RNA)
where:
Base-Base interactions energy: -42.886
where: short stacking energy: -42.886
Base-Backbone interact. energy: -0.191
local terms energy: -78.205159
where:
bonds (distance) C4'-P energy: -22.691
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -24.974
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: 2.814
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -414.679735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.679735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.679735 (E_RNA)
where:
Base-Base interactions energy: -280.198
where: short stacking energy: -128.377
Base-Backbone interact. energy: -0.413
local terms energy: -134.069369
where:
bonds (distance) C4'-P energy: -30.696
bonds (distance) P-C4' energy: -19.845
flat angles C4'-P-C4' energy: -28.995
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -37.987
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: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -415.322053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.322053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.322053 (E_RNA)
where:
Base-Base interactions energy: -278.633
where: short stacking energy: -145.688
Base-Backbone interact. energy: -0.571
local terms energy: -136.118517
where:
bonds (distance) C4'-P energy: -29.469
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -27.366
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -41.057
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: 9
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -386.882419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.882419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.882419 (E_RNA)
where:
Base-Base interactions energy: -255.256
where: short stacking energy: -130.193
Base-Backbone interact. energy: -0.254
local terms energy: -131.372568
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -24.903
flat angles C4'-P-C4' energy: -30.932
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: -37.249
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: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -319.958281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.958281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.958281 (E_RNA)
where:
Base-Base interactions energy: -205.123
where: short stacking energy: -107.620
Base-Backbone interact. energy: -1.370
local terms energy: -113.465022
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -23.683
flat angles C4'-P-C4' energy: -24.988
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -29.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -301.651706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.651706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.651706 (E_RNA)
where:
Base-Base interactions energy: -176.776
where: short stacking energy: -100.813
Base-Backbone interact. energy: -1.408
local terms energy: -123.467725
where:
bonds (distance) C4'-P energy: -24.676
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -15.890
tors. eta vs tors. theta energy: -33.117
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: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -267.446778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.446778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.446778 (E_RNA)
where:
Base-Base interactions energy: -164.448
where: short stacking energy: -84.291
Base-Backbone interact. energy: -0.344
local terms energy: -102.654877
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -24.847
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -20.819
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: 8
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -254.692106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.692106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.692106 (E_RNA)
where:
Base-Base interactions energy: -153.943
where: short stacking energy: -83.899
Base-Backbone interact. energy: -0.341
local terms energy: -100.407963
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -21.491
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -23.179
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: 3
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -135.455424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.455424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.455424 (E_RNA)
where:
Base-Base interactions energy: -47.369
where: short stacking energy: -33.794
Base-Backbone interact. energy: -0.957
local terms energy: -87.128768
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -24.769
flat angles P-C4'-P energy: -17.011
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: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -136.507724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.507724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.507724 (E_RNA)
where:
Base-Base interactions energy: -54.277
where: short stacking energy: -52.431
Base-Backbone interact. energy: -0.274
local terms energy: -81.956777
where:
bonds (distance) C4'-P energy: -22.397
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -18.190
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: 10, replica: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -130.099190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.099190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.099190 (E_RNA)
where:
Base-Base interactions energy: -57.417
where: short stacking energy: -40.171
Base-Backbone interact. energy: -0.306
local terms energy: -72.375759
where:
bonds (distance) C4'-P energy: -24.375
bonds (distance) P-C4' energy: -24.329
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: 2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -426.561767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.561767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.561767 (E_RNA)
where:
Base-Base interactions energy: -286.949
where: short stacking energy: -146.805
Base-Backbone interact. energy: -0.029
local terms energy: -139.584051
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -30.453
flat angles C4'-P-C4' energy: -27.714
flat angles P-C4'-P energy: -20.021
tors. eta vs tors. theta energy: -37.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -421.229630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.229630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.229630 (E_RNA)
where:
Base-Base interactions energy: -287.253
where: short stacking energy: -133.753
Base-Backbone interact. energy: -0.955
local terms energy: -133.022147
where:
bonds (distance) C4'-P energy: -25.825
bonds (distance) P-C4' energy: -24.944
flat angles C4'-P-C4' energy: -24.386
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -39.397
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: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -384.948085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.948085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.948085 (E_RNA)
where:
Base-Base interactions energy: -256.108
where: short stacking energy: -112.114
Base-Backbone interact. energy: -0.403
local terms energy: -128.436564
where:
bonds (distance) C4'-P energy: -24.295
bonds (distance) P-C4' energy: -28.471
flat angles C4'-P-C4' energy: -23.624
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -34.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -318.462195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.462195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.462195 (E_RNA)
where:
Base-Base interactions energy: -211.725
where: short stacking energy: -107.836
Base-Backbone interact. energy: -0.773
local terms energy: -105.963735
where:
bonds (distance) C4'-P energy: -24.292
bonds (distance) P-C4' energy: -24.189
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -21.869
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: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -272.584456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.584456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.584456 (E_RNA)
where:
Base-Base interactions energy: -160.426
where: short stacking energy: -92.433
Base-Backbone interact. energy: -0.884
local terms energy: -111.274704
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -24.225
flat angles C4'-P-C4' energy: -24.095
flat angles P-C4'-P energy: -17.866
tors. eta vs tors. theta energy: -18.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -261.793121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.793121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.793121 (E_RNA)
where:
Base-Base interactions energy: -155.866
where: short stacking energy: -89.721
Base-Backbone interact. energy: -0.363
local terms energy: -105.563728
where:
bonds (distance) C4'-P energy: -26.438
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -23.695
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -17.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -244.351997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.351997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.351997 (E_RNA)
where:
Base-Base interactions energy: -145.787
where: short stacking energy: -85.842
Base-Backbone interact. energy: -0.314
local terms energy: -98.251244
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -18.295
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -155.434947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.434947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.434947 (E_RNA)
where:
Base-Base interactions energy: -65.118
where: short stacking energy: -54.204
Base-Backbone interact. energy: -0.417
local terms energy: -89.900223
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -26.898
flat angles C4'-P-C4' energy: -25.495
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -123.063429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.063429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.063429 (E_RNA)
where:
Base-Base interactions energy: -36.371
where: short stacking energy: -30.451
Base-Backbone interact. energy: -0.586
local terms energy: -86.105895
where:
bonds (distance) C4'-P energy: -25.113
bonds (distance) P-C4' energy: -27.367
flat angles C4'-P-C4' energy: -22.838
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: 2.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -126.308993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.308993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.308993 (E_RNA)
where:
Base-Base interactions energy: -53.998
where: short stacking energy: -50.134
Base-Backbone interact. energy: -1.374
local terms energy: -70.937323
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -412.433992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.433992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.433992 (E_RNA)
where:
Base-Base interactions energy: -275.848
where: short stacking energy: -129.791
Base-Backbone interact. energy: -0.073
local terms energy: -136.512836
where:
bonds (distance) C4'-P energy: -26.789
bonds (distance) P-C4' energy: -21.501
flat angles C4'-P-C4' energy: -30.865
flat angles P-C4'-P energy: -21.738
tors. eta vs tors. theta energy: -35.620
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: 474
Temperature: 0.950000
Total energy: -418.706946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.706946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.706946 (E_RNA)
where:
Base-Base interactions energy: -284.083
where: short stacking energy: -135.585
Base-Backbone interact. energy: 0.762
local terms energy: -135.385402
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -26.958
flat angles C4'-P-C4' energy: -28.312
flat angles P-C4'-P energy: -20.548
tors. eta vs tors. theta energy: -40.159
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: 3, replica: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -381.987122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.987122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.987122 (E_RNA)
where:
Base-Base interactions energy: -248.887
where: short stacking energy: -117.622
Base-Backbone interact. energy: -0.607
local terms energy: -132.493584
where:
bonds (distance) C4'-P energy: -26.190
bonds (distance) P-C4' energy: -24.958
flat angles C4'-P-C4' energy: -26.527
flat angles P-C4'-P energy: -22.486
tors. eta vs tors. theta energy: -32.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -336.268229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.268229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.268229 (E_RNA)
where:
Base-Base interactions energy: -217.532
where: short stacking energy: -119.918
Base-Backbone interact. energy: -1.582
local terms energy: -117.155046
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -23.104
flat angles C4'-P-C4' energy: -24.984
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -34.450
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: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -297.419748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.419748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.419748 (E_RNA)
where:
Base-Base interactions energy: -179.945
where: short stacking energy: -104.349
Base-Backbone interact. energy: -0.916
local terms energy: -116.558709
where:
bonds (distance) C4'-P energy: -20.511
bonds (distance) P-C4' energy: -26.057
flat angles C4'-P-C4' energy: -27.072
flat angles P-C4'-P energy: -18.924
tors. eta vs tors. theta energy: -23.994
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: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -289.811634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.811634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.811634 (E_RNA)
where:
Base-Base interactions energy: -172.338
where: short stacking energy: -94.012
Base-Backbone interact. energy: 3.927
local terms energy: -121.400904
where:
bonds (distance) C4'-P energy: -26.172
bonds (distance) P-C4' energy: -27.627
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -28.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -241.154706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.154706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.154706 (E_RNA)
where:
Base-Base interactions energy: -131.762
where: short stacking energy: -77.048
Base-Backbone interact. energy: -0.361
local terms energy: -109.031393
where:
bonds (distance) C4'-P energy: -27.025
bonds (distance) P-C4' energy: -22.839
flat angles C4'-P-C4' energy: -23.597
flat angles P-C4'-P energy: -19.205
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -147.653577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.653577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.653577 (E_RNA)
where:
Base-Base interactions energy: -61.167
where: short stacking energy: -55.239
Base-Backbone interact. energy: -0.178
local terms energy: -86.308740
where:
bonds (distance) C4'-P energy: -23.707
bonds (distance) P-C4' energy: -29.556
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -8.786
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: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -133.193753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.193753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.193753 (E_RNA)
where:
Base-Base interactions energy: -52.087
where: short stacking energy: -50.906
Base-Backbone interact. energy: -0.599
local terms energy: -80.507510
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -26.625
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -123.304682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.304682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.304682 (E_RNA)
where:
Base-Base interactions energy: -49.348
where: short stacking energy: -46.178
Base-Backbone interact. energy: -0.149
local terms energy: -73.808073
where:
bonds (distance) C4'-P energy: -18.591
bonds (distance) P-C4' energy: -24.871
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -4.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -408.518745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.518745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.518745 (E_RNA)
where:
Base-Base interactions energy: -264.689
where: short stacking energy: -131.300
Base-Backbone interact. energy: -0.020
local terms energy: -143.810092
where:
bonds (distance) C4'-P energy: -26.762
bonds (distance) P-C4' energy: -27.803
flat angles C4'-P-C4' energy: -27.059
flat angles P-C4'-P energy: -21.629
tors. eta vs tors. theta energy: -40.557
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: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -417.549617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.549617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.549617 (E_RNA)
where:
Base-Base interactions energy: -276.767
where: short stacking energy: -137.039
Base-Backbone interact. energy: 0.973
local terms energy: -141.755030
where:
bonds (distance) C4'-P energy: -24.212
bonds (distance) P-C4' energy: -27.565
flat angles C4'-P-C4' energy: -26.666
flat angles P-C4'-P energy: -20.928
tors. eta vs tors. theta energy: -42.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -376.926082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.926082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.926082 (E_RNA)
where:
Base-Base interactions energy: -251.940
where: short stacking energy: -130.643
Base-Backbone interact. energy: -0.136
local terms energy: -124.850208
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -27.209
flat angles C4'-P-C4' energy: -25.385
flat angles P-C4'-P energy: -18.985
tors. eta vs tors. theta energy: -33.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -336.838356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.838356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.838356 (E_RNA)
where:
Base-Base interactions energy: -216.647
where: short stacking energy: -122.340
Base-Backbone interact. energy: -0.450
local terms energy: -119.741525
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -25.462
flat angles C4'-P-C4' energy: -25.775
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -33.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -318.008035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.008035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.008035 (E_RNA)
where:
Base-Base interactions energy: -181.049
where: short stacking energy: -112.981
Base-Backbone interact. energy: -0.834
local terms energy: -136.125418
where:
bonds (distance) C4'-P energy: -24.638
bonds (distance) P-C4' energy: -28.360
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -31.791
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: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -238.580149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.580149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.580149 (E_RNA)
where:
Base-Base interactions energy: -135.479
where: short stacking energy: -78.754
Base-Backbone interact. energy: -0.041
local terms energy: -103.060055
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -26.391
flat angles C4'-P-C4' energy: -24.863
flat angles P-C4'-P energy: -18.093
tors. eta vs tors. theta energy: -14.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -250.921775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.921775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.921775 (E_RNA)
where:
Base-Base interactions energy: -145.196
where: short stacking energy: -88.411
Base-Backbone interact. energy: -0.048
local terms energy: -105.677442
where:
bonds (distance) C4'-P energy: -23.065
bonds (distance) P-C4' energy: -21.847
flat angles C4'-P-C4' energy: -25.871
flat angles P-C4'-P energy: -19.342
tors. eta vs tors. theta energy: -15.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -132.663417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.663417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.663417 (E_RNA)
where:
Base-Base interactions energy: -46.412
where: short stacking energy: -39.153
Base-Backbone interact. energy: -1.704
local terms energy: -84.547577
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -27.989
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: 0.248
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: 475
Temperature: 1.300000
Total energy: -122.966821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.966821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.966821 (E_RNA)
where:
Base-Base interactions energy: -49.140
where: short stacking energy: -42.243
Base-Backbone interact. energy: 1.188
local terms energy: -75.015153
where:
bonds (distance) C4'-P energy: -22.161
bonds (distance) P-C4' energy: -28.273
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: 2.029
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: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -127.363874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.363874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.363874 (E_RNA)
where:
Base-Base interactions energy: -60.871
where: short stacking energy: -55.198
Base-Backbone interact. energy: 2.458
local terms energy: -68.951219
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -401.078819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.078819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.078819 (E_RNA)
where:
Base-Base interactions energy: -265.586
where: short stacking energy: -131.187
Base-Backbone interact. energy: -0.005
local terms energy: -135.488204
where:
bonds (distance) C4'-P energy: -23.806
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -30.471
flat angles P-C4'-P energy: -22.273
tors. eta vs tors. theta energy: -38.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -406.028877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.028877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.028877 (E_RNA)
where:
Base-Base interactions energy: -263.820
where: short stacking energy: -130.727
Base-Backbone interact. energy: -0.560
local terms energy: -141.649404
where:
bonds (distance) C4'-P energy: -22.936
bonds (distance) P-C4' energy: -25.895
flat angles C4'-P-C4' energy: -27.874
flat angles P-C4'-P energy: -25.113
tors. eta vs tors. theta energy: -39.831
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: 476
Temperature: 1.000000
Total energy: -380.684913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.684913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.684913 (E_RNA)
where:
Base-Base interactions energy: -247.925
where: short stacking energy: -118.758
Base-Backbone interact. energy: -1.423
local terms energy: -131.337499
where:
bonds (distance) C4'-P energy: -27.580
bonds (distance) P-C4' energy: -29.008
flat angles C4'-P-C4' energy: -25.857
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -35.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -351.237811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.237811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.237811 (E_RNA)
where:
Base-Base interactions energy: -223.286
where: short stacking energy: -124.445
Base-Backbone interact. energy: 2.427
local terms energy: -130.379605
where:
bonds (distance) C4'-P energy: -24.298
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -27.451
flat angles P-C4'-P energy: -22.297
tors. eta vs tors. theta energy: -32.022
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: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -319.177007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.177007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.177007 (E_RNA)
where:
Base-Base interactions energy: -202.460
where: short stacking energy: -104.755
Base-Backbone interact. energy: -0.674
local terms energy: -116.043463
where:
bonds (distance) C4'-P energy: -18.238
bonds (distance) P-C4' energy: -25.573
flat angles C4'-P-C4' energy: -26.885
flat angles P-C4'-P energy: -18.280
tors. eta vs tors. theta energy: -27.068
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: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -240.350399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.350399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.350399 (E_RNA)
where:
Base-Base interactions energy: -148.611
where: short stacking energy: -82.200
Base-Backbone interact. energy: -0.342
local terms energy: -91.397721
where:
bonds (distance) C4'-P energy: -22.906
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -14.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -147.261757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.261757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.261757 (E_RNA)
where:
Base-Base interactions energy: -75.250
where: short stacking energy: -53.436
Base-Backbone interact. energy: 3.250
local terms energy: -75.261079
where:
bonds (distance) C4'-P energy: -22.245
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -21.258
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -4.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -209.299446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.299446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.299446 (E_RNA)
where:
Base-Base interactions energy: -122.034
where: short stacking energy: -70.381
Base-Backbone interact. energy: -1.433
local terms energy: -85.832161
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -15.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -139.670841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.670841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.670841 (E_RNA)
where:
Base-Base interactions energy: -50.364
where: short stacking energy: -36.632
Base-Backbone interact. energy: -1.076
local terms energy: -88.230605
where:
bonds (distance) C4'-P energy: -25.656
bonds (distance) P-C4' energy: -24.751
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -14.515
tors. eta vs tors. theta energy: -0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -126.971930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.971930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.971930 (E_RNA)
where:
Base-Base interactions energy: -42.908
where: short stacking energy: -42.671
Base-Backbone interact. energy: -0.112
local terms energy: -83.952399
where:
bonds (distance) C4'-P energy: -27.308
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -15.215
tors. eta vs tors. theta energy: -4.523
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -396.773179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.773179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.773179 (E_RNA)
where:
Base-Base interactions energy: -257.294
where: short stacking energy: -130.745
Base-Backbone interact. energy: -1.125
local terms energy: -138.353694
where:
bonds (distance) C4'-P energy: -23.536
bonds (distance) P-C4' energy: -29.011
flat angles C4'-P-C4' energy: -30.755
flat angles P-C4'-P energy: -19.337
tors. eta vs tors. theta energy: -35.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -396.835668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.835668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.835668 (E_RNA)
where:
Base-Base interactions energy: -266.864
where: short stacking energy: -133.905
Base-Backbone interact. energy: 0.367
local terms energy: -130.338779
where:
bonds (distance) C4'-P energy: -22.146
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -27.668
flat angles P-C4'-P energy: -21.211
tors. eta vs tors. theta energy: -37.610
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: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -405.895380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.895380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.895380 (E_RNA)
where:
Base-Base interactions energy: -272.120
where: short stacking energy: -129.862
Base-Backbone interact. energy: -0.005
local terms energy: -133.771199
where:
bonds (distance) C4'-P energy: -24.274
bonds (distance) P-C4' energy: -23.707
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -17.013
tors. eta vs tors. theta energy: -41.965
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: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -298.977872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.977872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.977872 (E_RNA)
where:
Base-Base interactions energy: -179.094
where: short stacking energy: -85.965
Base-Backbone interact. energy: -1.501
local terms energy: -118.382501
where:
bonds (distance) C4'-P energy: -25.152
bonds (distance) P-C4' energy: -24.495
flat angles C4'-P-C4' energy: -29.861
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -22.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -317.148998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.148998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.148998 (E_RNA)
where:
Base-Base interactions energy: -201.194
where: short stacking energy: -100.014
Base-Backbone interact. energy: -0.208
local terms energy: -115.747777
where:
bonds (distance) C4'-P energy: -17.967
bonds (distance) P-C4' energy: -28.002
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -17.712
tors. eta vs tors. theta energy: -29.130
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: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -247.983346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.983346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.983346 (E_RNA)
where:
Base-Base interactions energy: -141.599
where: short stacking energy: -81.898
Base-Backbone interact. energy: -0.505
local terms energy: -105.879030
where:
bonds (distance) C4'-P energy: -23.503
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -21.798
flat angles P-C4'-P energy: -19.072
tors. eta vs tors. theta energy: -20.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -154.848894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.848894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.848894 (E_RNA)
where:
Base-Base interactions energy: -73.686
where: short stacking energy: -73.686
Base-Backbone interact. energy: -0.180
local terms energy: -80.983096
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -22.831
flat angles C4'-P-C4' energy: -22.371
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -9.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -146.887680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.887680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.887680 (E_RNA)
where:
Base-Base interactions energy: -53.740
where: short stacking energy: -52.749
Base-Backbone interact. energy: -1.461
local terms energy: -91.687180
where:
bonds (distance) C4'-P energy: -27.984
bonds (distance) P-C4' energy: -26.986
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -11.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -216.130546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.130546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.130546 (E_RNA)
where:
Base-Base interactions energy: -125.732
where: short stacking energy: -73.287
Base-Backbone interact. energy: -0.326
local terms energy: -90.071759
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -25.632
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -7.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -125.628295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.628295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.628295 (E_RNA)
where:
Base-Base interactions energy: -47.595
where: short stacking energy: -32.698
Base-Backbone interact. energy: -0.331
local terms energy: -77.702789
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -26.491
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -2.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -411.948295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.948295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.948295 (E_RNA)
where:
Base-Base interactions energy: -262.739
where: short stacking energy: -135.338
Base-Backbone interact. energy: -0.048
local terms energy: -149.160628
where:
bonds (distance) C4'-P energy: -26.214
bonds (distance) P-C4' energy: -30.276
flat angles C4'-P-C4' energy: -32.893
flat angles P-C4'-P energy: -20.585
tors. eta vs tors. theta energy: -39.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -403.513590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.513590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.513590 (E_RNA)
where:
Base-Base interactions energy: -265.007
where: short stacking energy: -130.357
Base-Backbone interact. energy: -0.061
local terms energy: -138.445866
where:
bonds (distance) C4'-P energy: -25.721
bonds (distance) P-C4' energy: -29.418
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -23.699
tors. eta vs tors. theta energy: -36.233
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: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -414.564592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.564592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.564592 (E_RNA)
where:
Base-Base interactions energy: -277.586
where: short stacking energy: -133.637
Base-Backbone interact. energy: -1.226
local terms energy: -135.752125
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -25.655
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -40.447
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: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -333.945487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.945487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.945487 (E_RNA)
where:
Base-Base interactions energy: -202.418
where: short stacking energy: -120.601
Base-Backbone interact. energy: -0.604
local terms energy: -130.923002
where:
bonds (distance) C4'-P energy: -23.508
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -31.325
flat angles P-C4'-P energy: -16.612
tors. eta vs tors. theta energy: -36.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -313.941660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.941660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.941660 (E_RNA)
where:
Base-Base interactions energy: -193.565
where: short stacking energy: -95.730
Base-Backbone interact. energy: -0.190
local terms energy: -120.187294
where:
bonds (distance) C4'-P energy: -27.254
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -18.389
tors. eta vs tors. theta energy: -23.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -254.196792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.196792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.196792 (E_RNA)
where:
Base-Base interactions energy: -143.177
where: short stacking energy: -85.338
Base-Backbone interact. energy: -0.032
local terms energy: -110.986998
where:
bonds (distance) C4'-P energy: -22.686
bonds (distance) P-C4' energy: -29.118
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -25.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -150.928205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.928205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.928205 (E_RNA)
where:
Base-Base interactions energy: -57.799
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.082
local terms energy: -93.047303
where:
bonds (distance) C4'-P energy: -25.478
bonds (distance) P-C4' energy: -24.008
flat angles C4'-P-C4' energy: -21.421
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -8.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -141.392804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.392804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.392804 (E_RNA)
where:
Base-Base interactions energy: -54.847
where: short stacking energy: -46.426
Base-Backbone interact. energy: -1.156
local terms energy: -85.389493
where:
bonds (distance) C4'-P energy: -23.220
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -20.077
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -6.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -233.488918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.488918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.488918 (E_RNA)
where:
Base-Base interactions energy: -125.735
where: short stacking energy: -75.928
Base-Backbone interact. energy: 0.391
local terms energy: -108.144703
where:
bonds (distance) C4'-P energy: -26.584
bonds (distance) P-C4' energy: -28.921
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -19.750
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: 10, replica: 6
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -126.021845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.021845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.021845 (E_RNA)
where:
Base-Base interactions energy: -53.375
where: short stacking energy: -45.826
Base-Backbone interact. energy: -0.044
local terms energy: -72.603702
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -24.021
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -396.845261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.845261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.845261 (E_RNA)
where:
Base-Base interactions energy: -259.298
where: short stacking energy: -136.270
Base-Backbone interact. energy: -1.182
local terms energy: -136.364764
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -27.501
flat angles P-C4'-P energy: -21.693
tors. eta vs tors. theta energy: -38.768
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: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -430.317847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.317847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.317847 (E_RNA)
where:
Base-Base interactions energy: -294.643
where: short stacking energy: -145.964
Base-Backbone interact. energy: -0.000
local terms energy: -135.674775
where:
bonds (distance) C4'-P energy: -27.930
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -28.578
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -42.728
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: 4
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -381.988110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.988110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.988110 (E_RNA)
where:
Base-Base interactions energy: -256.839
where: short stacking energy: -122.139
Base-Backbone interact. energy: -0.685
local terms energy: -124.464895
where:
bonds (distance) C4'-P energy: -26.381
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -27.140
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -39.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -322.508765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.508765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.508765 (E_RNA)
where:
Base-Base interactions energy: -191.913
where: short stacking energy: -113.611
Base-Backbone interact. energy: -0.691
local terms energy: -129.904652
where:
bonds (distance) C4'-P energy: -24.482
bonds (distance) P-C4' energy: -26.696
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -20.432
tors. eta vs tors. theta energy: -36.345
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: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -328.409398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.409398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.409398 (E_RNA)
where:
Base-Base interactions energy: -207.524
where: short stacking energy: -105.258
Base-Backbone interact. energy: -0.317
local terms energy: -120.567940
where:
bonds (distance) C4'-P energy: -25.040
bonds (distance) P-C4' energy: -22.507
flat angles C4'-P-C4' energy: -23.798
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -33.068
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: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -271.232520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.232520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.232520 (E_RNA)
where:
Base-Base interactions energy: -157.720
where: short stacking energy: -98.370
Base-Backbone interact. energy: -0.290
local terms energy: -113.222469
where:
bonds (distance) C4'-P energy: -22.750
bonds (distance) P-C4' energy: -27.131
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -24.044
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: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -168.106340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.106340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.106340 (E_RNA)
where:
Base-Base interactions energy: -77.258
where: short stacking energy: -66.641
Base-Backbone interact. energy: -0.081
local terms energy: -90.766868
where:
bonds (distance) C4'-P energy: -22.617
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -17.506
tors. eta vs tors. theta energy: -5.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -230.028166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.028166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.028166 (E_RNA)
where:
Base-Base interactions energy: -138.804
where: short stacking energy: -81.991
Base-Backbone interact. energy: -0.207
local terms energy: -91.017335
where:
bonds (distance) C4'-P energy: -22.435
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -10.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -140.103235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.103235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.103235 (E_RNA)
where:
Base-Base interactions energy: -57.965
where: short stacking energy: -56.668
Base-Backbone interact. energy: -0.209
local terms energy: -81.929211
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -22.291
flat angles C4'-P-C4' energy: -22.525
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -5.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -129.054206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.054206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.054206 (E_RNA)
where:
Base-Base interactions energy: -48.232
where: short stacking energy: -47.083
Base-Backbone interact. energy: -0.507
local terms energy: -80.315226
where:
bonds (distance) C4'-P energy: -21.587
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -25.318
flat angles P-C4'-P energy: -15.797
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -423.493770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.493770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.493770 (E_RNA)
where:
Base-Base interactions energy: -276.648
where: short stacking energy: -143.005
Base-Backbone interact. energy: -1.153
local terms energy: -145.692282
where:
bonds (distance) C4'-P energy: -21.797
bonds (distance) P-C4' energy: -26.016
flat angles C4'-P-C4' energy: -30.125
flat angles P-C4'-P energy: -23.527
tors. eta vs tors. theta energy: -44.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -391.256173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.256173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.256173 (E_RNA)
where:
Base-Base interactions energy: -260.138
where: short stacking energy: -131.203
Base-Backbone interact. energy: 0.757
local terms energy: -131.874536
where:
bonds (distance) C4'-P energy: -28.205
bonds (distance) P-C4' energy: -24.624
flat angles C4'-P-C4' energy: -27.637
flat angles P-C4'-P energy: -19.989
tors. eta vs tors. theta energy: -31.419
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: 4
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -371.583341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.583341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.583341 (E_RNA)
where:
Base-Base interactions energy: -241.795
where: short stacking energy: -128.998
Base-Backbone interact. energy: -0.598
local terms energy: -129.189684
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -29.542
flat angles C4'-P-C4' energy: -28.552
flat angles P-C4'-P energy: -17.954
tors. eta vs tors. theta energy: -35.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -312.917165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.917165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.917165 (E_RNA)
where:
Base-Base interactions energy: -185.817
where: short stacking energy: -112.380
Base-Backbone interact. energy: -1.093
local terms energy: -126.006499
where:
bonds (distance) C4'-P energy: -23.383
bonds (distance) P-C4' energy: -26.686
flat angles C4'-P-C4' energy: -27.759
flat angles P-C4'-P energy: -20.648
tors. eta vs tors. theta energy: -27.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -345.561875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.561875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.561875 (E_RNA)
where:
Base-Base interactions energy: -207.531
where: short stacking energy: -116.129
Base-Backbone interact. energy: -0.530
local terms energy: -137.500731
where:
bonds (distance) C4'-P energy: -27.146
bonds (distance) P-C4' energy: -28.386
flat angles C4'-P-C4' energy: -27.073
flat angles P-C4'-P energy: -21.277
tors. eta vs tors. theta energy: -33.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -254.800753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.800753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.800753 (E_RNA)
where:
Base-Base interactions energy: -145.785
where: short stacking energy: -87.523
Base-Backbone interact. energy: -0.047
local terms energy: -108.969252
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -26.982
flat angles C4'-P-C4' energy: -29.383
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -14.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -238.984823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.984823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.984823 (E_RNA)
where:
Base-Base interactions energy: -137.522
where: short stacking energy: -79.312
Base-Backbone interact. energy: -0.271
local terms energy: -101.191684
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -20.821
flat angles C4'-P-C4' energy: -20.792
flat angles P-C4'-P energy: -18.398
tors. eta vs tors. theta energy: -21.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -145.836132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.836132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.836132 (E_RNA)
where:
Base-Base interactions energy: -73.618
where: short stacking energy: -60.241
Base-Backbone interact. energy: -0.290
local terms energy: -71.927839
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -17.314
flat angles C4'-P-C4' energy: -21.476
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -134.144155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.144155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.144155 (E_RNA)
where:
Base-Base interactions energy: -44.415
where: short stacking energy: -44.391
Base-Backbone interact. energy: -0.259
local terms energy: -89.470165
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -30.759
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -137.779415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.779415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.779415 (E_RNA)
where:
Base-Base interactions energy: -51.814
where: short stacking energy: -31.525
Base-Backbone interact. energy: -0.777
local terms energy: -85.188471
where:
bonds (distance) C4'-P energy: -25.161
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -18.844
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -434.056627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.056627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.056627 (E_RNA)
where:
Base-Base interactions energy: -292.622
where: short stacking energy: -143.440
Base-Backbone interact. energy: -0.166
local terms energy: -141.269295
where:
bonds (distance) C4'-P energy: -25.048
bonds (distance) P-C4' energy: -26.119
flat angles C4'-P-C4' energy: -26.416
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -41.572
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: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -375.927312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.927312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.927312 (E_RNA)
where:
Base-Base interactions energy: -250.292
where: short stacking energy: -122.590
Base-Backbone interact. energy: -1.315
local terms energy: -124.321197
where:
bonds (distance) C4'-P energy: -22.565
bonds (distance) P-C4' energy: -25.890
flat angles C4'-P-C4' energy: -24.655
flat angles P-C4'-P energy: -20.057
tors. eta vs tors. theta energy: -31.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -392.245339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.245339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.245339 (E_RNA)
where:
Base-Base interactions energy: -251.973
where: short stacking energy: -127.138
Base-Backbone interact. energy: -1.283
local terms energy: -138.988800
where:
bonds (distance) C4'-P energy: -28.650
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -27.610
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -40.131
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: 1
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -343.498717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.498717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.498717 (E_RNA)
where:
Base-Base interactions energy: -227.204
where: short stacking energy: -117.297
Base-Backbone interact. energy: -0.625
local terms energy: -115.669517
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -25.989
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -32.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -308.313680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.313680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.313680 (E_RNA)
where:
Base-Base interactions energy: -190.623
where: short stacking energy: -111.911
Base-Backbone interact. energy: -0.324
local terms energy: -117.365923
where:
bonds (distance) C4'-P energy: -21.724
bonds (distance) P-C4' energy: -26.924
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -30.053
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: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -255.465402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.465402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.465402 (E_RNA)
where:
Base-Base interactions energy: -144.946
where: short stacking energy: -89.019
Base-Backbone interact. energy: -0.012
local terms energy: -110.507002
where:
bonds (distance) C4'-P energy: -27.101
bonds (distance) P-C4' energy: -28.283
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -19.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -234.497603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.497603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.497603 (E_RNA)
where:
Base-Base interactions energy: -133.474
where: short stacking energy: -79.411
Base-Backbone interact. energy: -0.068
local terms energy: -100.955604
where:
bonds (distance) C4'-P energy: -22.840
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -21.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -147.374130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.374130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.374130 (E_RNA)
where:
Base-Base interactions energy: -46.539
where: short stacking energy: -45.703
Base-Backbone interact. energy: -0.017
local terms energy: -100.818588
where:
bonds (distance) C4'-P energy: -27.689
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -18.831
tors. eta vs tors. theta energy: -7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -143.207081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.207081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.207081 (E_RNA)
where:
Base-Base interactions energy: -78.747
where: short stacking energy: -48.490
Base-Backbone interact. energy: 0.264
local terms energy: -64.724016
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -22.372
flat angles C4'-P-C4' energy: -7.758
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -0.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -125.098199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.098199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.098199 (E_RNA)
where:
Base-Base interactions energy: -49.703
where: short stacking energy: -29.536
Base-Backbone interact. energy: -0.520
local terms energy: -74.876171
where:
bonds (distance) C4'-P energy: -28.032
bonds (distance) P-C4' energy: -22.326
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: 4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -419.352486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.352486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.352486 (E_RNA)
where:
Base-Base interactions energy: -279.249
where: short stacking energy: -141.133
Base-Backbone interact. energy: -0.000
local terms energy: -140.103539
where:
bonds (distance) C4'-P energy: -22.064
bonds (distance) P-C4' energy: -27.508
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -19.045
tors. eta vs tors. theta energy: -42.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -373.484202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.484202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.484202 (E_RNA)
where:
Base-Base interactions energy: -239.596
where: short stacking energy: -128.650
Base-Backbone interact. energy: -0.003
local terms energy: -133.885410
where:
bonds (distance) C4'-P energy: -26.244
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -27.200
flat angles P-C4'-P energy: -17.721
tors. eta vs tors. theta energy: -39.796
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: 3, replica: 9
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -385.949596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.949596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.949596 (E_RNA)
where:
Base-Base interactions energy: -248.111
where: short stacking energy: -119.453
Base-Backbone interact. energy: -2.471
local terms energy: -135.367572
where:
bonds (distance) C4'-P energy: -27.959
bonds (distance) P-C4' energy: -27.017
flat angles C4'-P-C4' energy: -28.450
flat angles P-C4'-P energy: -16.735
tors. eta vs tors. theta energy: -35.207
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: 1
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -339.680449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.680449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.680449 (E_RNA)
where:
Base-Base interactions energy: -216.294
where: short stacking energy: -114.452
Base-Backbone interact. energy: -1.631
local terms energy: -121.754788
where:
bonds (distance) C4'-P energy: -22.564
bonds (distance) P-C4' energy: -26.516
flat angles C4'-P-C4' energy: -27.407
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -34.309
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: 482
Temperature: 1.100000
Total energy: -305.053067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.053067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.053067 (E_RNA)
where:
Base-Base interactions energy: -190.477
where: short stacking energy: -112.612
Base-Backbone interact. energy: -0.763
local terms energy: -113.813246
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -29.621
flat angles C4'-P-C4' energy: -25.125
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -29.395
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: 7
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -249.044946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.044946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.044946 (E_RNA)
where:
Base-Base interactions energy: -137.350
where: short stacking energy: -80.790
Base-Backbone interact. energy: -0.236
local terms energy: -111.459227
where:
bonds (distance) C4'-P energy: -24.683
bonds (distance) P-C4' energy: -28.423
flat angles C4'-P-C4' energy: -24.505
flat angles P-C4'-P energy: -17.068
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: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -261.643313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.643313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.643313 (E_RNA)
where:
Base-Base interactions energy: -161.844
where: short stacking energy: -100.534
Base-Backbone interact. energy: -1.531
local terms energy: -98.268036
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -27.596
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -21.478
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: 3
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -147.847103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.847103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.847103 (E_RNA)
where:
Base-Base interactions energy: -61.333
where: short stacking energy: -61.333
Base-Backbone interact. energy: -0.974
local terms energy: -85.540646
where:
bonds (distance) C4'-P energy: -24.993
bonds (distance) P-C4' energy: -28.890
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -14.952
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: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -183.844878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.844878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.844878 (E_RNA)
where:
Base-Base interactions energy: -98.782
where: short stacking energy: -57.924
Base-Backbone interact. energy: -0.187
local terms energy: -84.875861
where:
bonds (distance) C4'-P energy: -19.526
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -21.559
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -10.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -121.887004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.887004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.887004 (E_RNA)
where:
Base-Base interactions energy: -55.344
where: short stacking energy: -52.824
Base-Backbone interact. energy: -0.589
local terms energy: -65.953872
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -21.798
flat angles C4'-P-C4' energy: -26.905
flat angles P-C4'-P energy: 1.468
tors. eta vs tors. theta energy: -2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -417.618403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.618403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.618403 (E_RNA)
where:
Base-Base interactions energy: -274.760
where: short stacking energy: -134.047
Base-Backbone interact. energy: -2.099
local terms energy: -140.759170
where:
bonds (distance) C4'-P energy: -27.180
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -29.073
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -44.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -388.781478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.781478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.781478 (E_RNA)
where:
Base-Base interactions energy: -251.270
where: short stacking energy: -131.301
Base-Backbone interact. energy: -1.208
local terms energy: -136.303969
where:
bonds (distance) C4'-P energy: -28.646
bonds (distance) P-C4' energy: -23.920
flat angles C4'-P-C4' energy: -28.501
flat angles P-C4'-P energy: -19.526
tors. eta vs tors. theta energy: -35.711
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: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -363.695987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.695987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.695987 (E_RNA)
where:
Base-Base interactions energy: -234.896
where: short stacking energy: -124.632
Base-Backbone interact. energy: 0.057
local terms energy: -128.856915
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -27.859
flat angles C4'-P-C4' energy: -27.209
flat angles P-C4'-P energy: -20.804
tors. eta vs tors. theta energy: -33.649
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: 1
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -335.339775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.339775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.339775 (E_RNA)
where:
Base-Base interactions energy: -208.575
where: short stacking energy: -110.992
Base-Backbone interact. energy: -0.380
local terms energy: -126.384190
where:
bonds (distance) C4'-P energy: -21.579
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -25.998
flat angles P-C4'-P energy: -21.738
tors. eta vs tors. theta energy: -32.609
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: 483
Temperature: 1.100000
Total energy: -286.428051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.428051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.428051 (E_RNA)
where:
Base-Base interactions energy: -174.425
where: short stacking energy: -95.621
Base-Backbone interact. energy: -0.818
local terms energy: -111.185253
where:
bonds (distance) C4'-P energy: -26.929
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -30.249
flat angles P-C4'-P energy: -17.032
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -232.966222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.966222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.966222 (E_RNA)
where:
Base-Base interactions energy: -149.855
where: short stacking energy: -85.292
Base-Backbone interact. energy: -1.071
local terms energy: -82.040065
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -7.076
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: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -236.330467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.330467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.330467 (E_RNA)
where:
Base-Base interactions energy: -134.053
where: short stacking energy: -74.786
Base-Backbone interact. energy: -0.738
local terms energy: -101.539558
where:
bonds (distance) C4'-P energy: -24.057
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -22.680
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -160.306066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.306066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.306066 (E_RNA)
where:
Base-Base interactions energy: -62.552
where: short stacking energy: -58.757
Base-Backbone interact. energy: -0.311
local terms energy: -97.442376
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -23.792
flat angles C4'-P-C4' energy: -24.791
flat angles P-C4'-P energy: -16.663
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: 9, replica: 3
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -133.322949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.322949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.322949 (E_RNA)
where:
Base-Base interactions energy: -56.576
where: short stacking energy: -56.576
Base-Backbone interact. energy: -0.237
local terms energy: -76.510289
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -21.888
flat angles C4'-P-C4' energy: -20.448
flat angles P-C4'-P energy: -14.581
tors. eta vs tors. theta energy: -7.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -134.119670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.119670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.119670 (E_RNA)
where:
Base-Base interactions energy: -49.526
where: short stacking energy: -49.526
Base-Backbone interact. energy: -0.139
local terms energy: -84.454623
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -28.016
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -13.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -395.117172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.117172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.117172 (E_RNA)
where:
Base-Base interactions energy: -259.542
where: short stacking energy: -125.019
Base-Backbone interact. energy: 0.359
local terms energy: -135.933922
where:
bonds (distance) C4'-P energy: -26.020
bonds (distance) P-C4' energy: -26.450
flat angles C4'-P-C4' energy: -27.318
flat angles P-C4'-P energy: -17.040
tors. eta vs tors. theta energy: -39.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -420.419728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.419728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.419728 (E_RNA)
where:
Base-Base interactions energy: -286.371
where: short stacking energy: -139.264
Base-Backbone interact. energy: 0.255
local terms energy: -134.303634
where:
bonds (distance) C4'-P energy: -24.298
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -30.313
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -44.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -349.894895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.894895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.894895 (E_RNA)
where:
Base-Base interactions energy: -217.229
where: short stacking energy: -116.878
Base-Backbone interact. energy: 0.136
local terms energy: -132.801503
where:
bonds (distance) C4'-P energy: -27.557
bonds (distance) P-C4' energy: -24.866
flat angles C4'-P-C4' energy: -25.903
flat angles P-C4'-P energy: -19.224
tors. eta vs tors. theta energy: -35.251
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: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -353.363889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.363889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.363889 (E_RNA)
where:
Base-Base interactions energy: -234.823
where: short stacking energy: -112.034
Base-Backbone interact. energy: -0.749
local terms energy: -117.792066
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -25.749
flat angles C4'-P-C4' energy: -21.462
flat angles P-C4'-P energy: -16.970
tors. eta vs tors. theta energy: -34.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -275.573531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.573531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.573531 (E_RNA)
where:
Base-Base interactions energy: -167.695
where: short stacking energy: -97.071
Base-Backbone interact. energy: -0.152
local terms energy: -107.725894
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -26.595
flat angles C4'-P-C4' energy: -23.419
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -23.317
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: 8
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -283.634540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.634540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.634540 (E_RNA)
where:
Base-Base interactions energy: -170.884
where: short stacking energy: -100.401
Base-Backbone interact. energy: -0.596
local terms energy: -112.154691
where:
bonds (distance) C4'-P energy: -21.334
bonds (distance) P-C4' energy: -28.407
flat angles C4'-P-C4' energy: -24.285
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -248.507981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.507981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.507981 (E_RNA)
where:
Base-Base interactions energy: -141.071
where: short stacking energy: -78.082
Base-Backbone interact. energy: -0.672
local terms energy: -106.765226
where:
bonds (distance) C4'-P energy: -26.183
bonds (distance) P-C4' energy: -23.164
flat angles C4'-P-C4' energy: -24.495
flat angles P-C4'-P energy: -17.158
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -152.135076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.135076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.135076 (E_RNA)
where:
Base-Base interactions energy: -64.889
where: short stacking energy: -58.289
Base-Backbone interact. energy: -2.160
local terms energy: -85.086192
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -24.384
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -131.322008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.322008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.322008 (E_RNA)
where:
Base-Base interactions energy: -49.262
where: short stacking energy: -48.207
Base-Backbone interact. energy: -0.246
local terms energy: -81.813519
where:
bonds (distance) C4'-P energy: -25.719
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -15.104
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: 3
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -134.304998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.304998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.304998 (E_RNA)
where:
Base-Base interactions energy: -57.769
where: short stacking energy: -56.995
Base-Backbone interact. energy: 0.043
local terms energy: -76.579239
where:
bonds (distance) C4'-P energy: -27.611
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -16.030
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -409.661184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.661184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.661184 (E_RNA)
where:
Base-Base interactions energy: -276.300
where: short stacking energy: -139.824
Base-Backbone interact. energy: -1.372
local terms energy: -131.989823
where:
bonds (distance) C4'-P energy: -23.249
bonds (distance) P-C4' energy: -23.542
flat angles C4'-P-C4' energy: -28.281
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: -37.621
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: 485
Temperature: 0.950000
Total energy: -419.820423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.820423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.820423 (E_RNA)
where:
Base-Base interactions energy: -273.856
where: short stacking energy: -135.806
Base-Backbone interact. energy: -0.415
local terms energy: -145.549100
where:
bonds (distance) C4'-P energy: -23.132
bonds (distance) P-C4' energy: -26.564
flat angles C4'-P-C4' energy: -31.629
flat angles P-C4'-P energy: -21.795
tors. eta vs tors. theta energy: -42.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -343.163515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.163515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.163515 (E_RNA)
where:
Base-Base interactions energy: -214.616
where: short stacking energy: -124.913
Base-Backbone interact. energy: -0.020
local terms energy: -128.527519
where:
bonds (distance) C4'-P energy: -23.772
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -28.849
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -33.024
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: 4, replica: 4
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -349.158314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.158314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.158314 (E_RNA)
where:
Base-Base interactions energy: -224.660
where: short stacking energy: -109.650
Base-Backbone interact. energy: -0.310
local terms energy: -124.188202
where:
bonds (distance) C4'-P energy: -26.775
bonds (distance) P-C4' energy: -26.203
flat angles C4'-P-C4' energy: -26.758
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -28.974
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: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -280.923322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.923322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.923322 (E_RNA)
where:
Base-Base interactions energy: -170.321
where: short stacking energy: -100.461
Base-Backbone interact. energy: -0.943
local terms energy: -109.658728
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -22.731
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -21.069
tors. eta vs tors. theta energy: -22.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -267.501375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.501375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.501375 (E_RNA)
where:
Base-Base interactions energy: -166.529
where: short stacking energy: -93.518
Base-Backbone interact. energy: -0.458
local terms energy: -100.514382
where:
bonds (distance) C4'-P energy: -27.611
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -23.602
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: 8
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -270.287390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.287390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.287390 (E_RNA)
where:
Base-Base interactions energy: -169.473
where: short stacking energy: -86.382
Base-Backbone interact. energy: -0.112
local terms energy: -100.702204
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -27.134
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -15.471
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: 8, replica: 6
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -154.740394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.740394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.740394 (E_RNA)
where:
Base-Base interactions energy: -67.158
where: short stacking energy: -64.683
Base-Backbone interact. energy: -0.286
local terms energy: -87.296721
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -7.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -161.479861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.479861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.479861 (E_RNA)
where:
Base-Base interactions energy: -69.297
where: short stacking energy: -69.297
Base-Backbone interact. energy: -0.586
local terms energy: -91.596663
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -28.461
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -7.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -131.541782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.541782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.541782 (E_RNA)
where:
Base-Base interactions energy: -43.121
where: short stacking energy: -43.121
Base-Backbone interact. energy: -0.333
local terms energy: -88.087989
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -24.882
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -11.185
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -427.495313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.495313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.495313 (E_RNA)
where:
Base-Base interactions energy: -286.293
where: short stacking energy: -135.845
Base-Backbone interact. energy: -1.333
local terms energy: -139.869416
where:
bonds (distance) C4'-P energy: -24.972
bonds (distance) P-C4' energy: -30.449
flat angles C4'-P-C4' energy: -26.005
flat angles P-C4'-P energy: -19.827
tors. eta vs tors. theta energy: -38.617
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: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -409.670062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.670062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.670062 (E_RNA)
where:
Base-Base interactions energy: -271.407
where: short stacking energy: -135.173
Base-Backbone interact. energy: -0.797
local terms energy: -137.466158
where:
bonds (distance) C4'-P energy: -25.946
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -37.110
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: 4
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -379.857873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.857873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.857873 (E_RNA)
where:
Base-Base interactions energy: -257.034
where: short stacking energy: -129.394
Base-Backbone interact. energy: -0.408
local terms energy: -122.415759
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -22.730
flat angles C4'-P-C4' energy: -25.499
flat angles P-C4'-P energy: -17.797
tors. eta vs tors. theta energy: -37.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -335.784415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.784415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.784415 (E_RNA)
where:
Base-Base interactions energy: -206.719
where: short stacking energy: -112.713
Base-Backbone interact. energy: -0.109
local terms energy: -128.956544
where:
bonds (distance) C4'-P energy: -28.601
bonds (distance) P-C4' energy: -25.436
flat angles C4'-P-C4' energy: -24.703
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -31.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -268.794803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.794803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.794803 (E_RNA)
where:
Base-Base interactions energy: -161.047
where: short stacking energy: -92.924
Base-Backbone interact. energy: -1.376
local terms energy: -106.371674
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -26.251
flat angles P-C4'-P energy: -20.278
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -253.164726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.164726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.164726 (E_RNA)
where:
Base-Base interactions energy: -141.950
where: short stacking energy: -71.492
Base-Backbone interact. energy: -0.035
local terms energy: -111.179659
where:
bonds (distance) C4'-P energy: -31.436
bonds (distance) P-C4' energy: -22.774
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -13.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -254.510116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.510116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.510116 (E_RNA)
where:
Base-Base interactions energy: -144.373
where: short stacking energy: -75.117
Base-Backbone interact. energy: -1.361
local terms energy: -108.776614
where:
bonds (distance) C4'-P energy: -24.523
bonds (distance) P-C4' energy: -26.717
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -21.353
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: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -159.805773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.805773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.805773 (E_RNA)
where:
Base-Base interactions energy: -64.532
where: short stacking energy: -54.302
Base-Backbone interact. energy: -0.455
local terms energy: -94.818651
where:
bonds (distance) C4'-P energy: -19.455
bonds (distance) P-C4' energy: -25.271
flat angles C4'-P-C4' energy: -21.806
flat angles P-C4'-P energy: -17.604
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: 9, replica: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -126.779926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.779926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.779926 (E_RNA)
where:
Base-Base interactions energy: -56.690
where: short stacking energy: -51.115
Base-Backbone interact. energy: 0.097
local terms energy: -70.187099
where:
bonds (distance) C4'-P energy: -22.620
bonds (distance) P-C4' energy: -28.137
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: 1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -131.987976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.987976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.987976 (E_RNA)
where:
Base-Base interactions energy: -56.476
where: short stacking energy: -41.945
Base-Backbone interact. energy: -0.942
local terms energy: -74.570084
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -26.443
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -429.805515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.805515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.805515 (E_RNA)
where:
Base-Base interactions energy: -291.074
where: short stacking energy: -139.934
Base-Backbone interact. energy: -1.009
local terms energy: -137.722885
where:
bonds (distance) C4'-P energy: -24.770
bonds (distance) P-C4' energy: -22.665
flat angles C4'-P-C4' energy: -27.438
flat angles P-C4'-P energy: -19.988
tors. eta vs tors. theta energy: -42.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -403.032544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.032544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.032544 (E_RNA)
where:
Base-Base interactions energy: -263.450
where: short stacking energy: -137.348
Base-Backbone interact. energy: -1.301
local terms energy: -138.281607
where:
bonds (distance) C4'-P energy: -29.485
bonds (distance) P-C4' energy: -25.738
flat angles C4'-P-C4' energy: -28.280
flat angles P-C4'-P energy: -17.921
tors. eta vs tors. theta energy: -36.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -372.957085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.957085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.957085 (E_RNA)
where:
Base-Base interactions energy: -243.847
where: short stacking energy: -119.883
Base-Backbone interact. energy: -0.158
local terms energy: -128.952099
where:
bonds (distance) C4'-P energy: -27.363
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -24.331
flat angles P-C4'-P energy: -22.474
tors. eta vs tors. theta energy: -32.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -339.906350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.906350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.906350 (E_RNA)
where:
Base-Base interactions energy: -218.372
where: short stacking energy: -119.850
Base-Backbone interact. energy: -1.177
local terms energy: -120.357095
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -26.353
flat angles C4'-P-C4' energy: -21.262
flat angles P-C4'-P energy: -22.641
tors. eta vs tors. theta energy: -32.356
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: 5, replica: 7
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -278.426888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.426888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.426888 (E_RNA)
where:
Base-Base interactions energy: -160.170
where: short stacking energy: -92.162
Base-Backbone interact. energy: -0.178
local terms energy: -118.079189
where:
bonds (distance) C4'-P energy: -26.409
bonds (distance) P-C4' energy: -27.190
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -27.519
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: 8
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -266.810172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.810172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.810172 (E_RNA)
where:
Base-Base interactions energy: -172.439
where: short stacking energy: -86.574
Base-Backbone interact. energy: -1.272
local terms energy: -93.099402
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -24.464
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: 7, replica: 5
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -235.147642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.147642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.147642 (E_RNA)
where:
Base-Base interactions energy: -135.209
where: short stacking energy: -71.256
Base-Backbone interact. energy: -0.168
local terms energy: -99.771463
where:
bonds (distance) C4'-P energy: -24.806
bonds (distance) P-C4' energy: -23.176
flat angles C4'-P-C4' energy: -22.716
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -157.965016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.965016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.965016 (E_RNA)
where:
Base-Base interactions energy: -65.052
where: short stacking energy: -65.540
Base-Backbone interact. energy: -0.240
local terms energy: -92.673266
where:
bonds (distance) C4'-P energy: -25.066
bonds (distance) P-C4' energy: -24.771
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -11.743
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: 9, replica: 6
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -152.081150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.081150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.081150 (E_RNA)
where:
Base-Base interactions energy: -71.745
where: short stacking energy: -47.397
Base-Backbone interact. energy: 1.479
local terms energy: -81.814975
where:
bonds (distance) C4'-P energy: -23.553
bonds (distance) P-C4' energy: -25.248
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -178.258711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.258711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.258711 (E_RNA)
where:
Base-Base interactions energy: -100.428
where: short stacking energy: -61.619
Base-Backbone interact. energy: 1.055
local terms energy: -78.885633
where:
bonds (distance) C4'-P energy: -21.555
bonds (distance) P-C4' energy: -21.616
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -6.611
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -423.505217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.505217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.505217 (E_RNA)
where:
Base-Base interactions energy: -274.955
where: short stacking energy: -137.769
Base-Backbone interact. energy: -0.589
local terms energy: -147.960636
where:
bonds (distance) C4'-P energy: -29.448
bonds (distance) P-C4' energy: -23.659
flat angles C4'-P-C4' energy: -30.667
flat angles P-C4'-P energy: -21.095
tors. eta vs tors. theta energy: -43.090
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: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -388.418020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.418020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.418020 (E_RNA)
where:
Base-Base interactions energy: -247.450
where: short stacking energy: -124.816
Base-Backbone interact. energy: -1.651
local terms energy: -139.316673
where:
bonds (distance) C4'-P energy: -25.165
bonds (distance) P-C4' energy: -29.087
flat angles C4'-P-C4' energy: -28.919
flat angles P-C4'-P energy: -16.526
tors. eta vs tors. theta energy: -39.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -386.124716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.124716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.124716 (E_RNA)
where:
Base-Base interactions energy: -245.781
where: short stacking energy: -122.019
Base-Backbone interact. energy: -0.885
local terms energy: -139.459124
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -32.496
flat angles P-C4'-P energy: -21.380
tors. eta vs tors. theta energy: -39.309
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: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -335.351081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.351081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.351081 (E_RNA)
where:
Base-Base interactions energy: -212.855
where: short stacking energy: -119.502
Base-Backbone interact. energy: -0.055
local terms energy: -122.441089
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -24.897
flat angles C4'-P-C4' energy: -26.972
flat angles P-C4'-P energy: -18.980
tors. eta vs tors. theta energy: -32.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -291.570006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.570006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.570006 (E_RNA)
where:
Base-Base interactions energy: -179.576
where: short stacking energy: -103.527
Base-Backbone interact. energy: -1.087
local terms energy: -110.906595
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -27.477
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -24.763
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: 7
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -248.479192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.479192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.479192 (E_RNA)
where:
Base-Base interactions energy: -143.232
where: short stacking energy: -78.220
Base-Backbone interact. energy: -0.917
local terms energy: -104.330205
where:
bonds (distance) C4'-P energy: -27.079
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -22.551
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -248.625408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.625408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.625408 (E_RNA)
where:
Base-Base interactions energy: -136.277
where: short stacking energy: -87.471
Base-Backbone interact. energy: -1.546
local terms energy: -110.802364
where:
bonds (distance) C4'-P energy: -29.146
bonds (distance) P-C4' energy: -23.839
flat angles C4'-P-C4' energy: -22.144
flat angles P-C4'-P energy: -17.623
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -156.046860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.046860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.046860 (E_RNA)
where:
Base-Base interactions energy: -59.756
where: short stacking energy: -54.429
Base-Backbone interact. energy: -0.715
local terms energy: -95.575795
where:
bonds (distance) C4'-P energy: -22.324
bonds (distance) P-C4' energy: -22.438
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -19.188
tors. eta vs tors. theta energy: -8.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -225.042777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.042777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.042777 (E_RNA)
where:
Base-Base interactions energy: -140.381
where: short stacking energy: -81.119
Base-Backbone interact. energy: -0.386
local terms energy: -84.275588
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -138.950251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.950251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.950251 (E_RNA)
where:
Base-Base interactions energy: -60.351
where: short stacking energy: -57.505
Base-Backbone interact. energy: -0.197
local terms energy: -78.402984
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -8.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -426.689707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.689707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.689707 (E_RNA)
where:
Base-Base interactions energy: -285.183
where: short stacking energy: -141.358
Base-Backbone interact. energy: 0.566
local terms energy: -142.072375
where:
bonds (distance) C4'-P energy: -25.381
bonds (distance) P-C4' energy: -26.240
flat angles C4'-P-C4' energy: -28.069
flat angles P-C4'-P energy: -22.406
tors. eta vs tors. theta energy: -39.976
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: 2, replica: 4
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -405.429246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.429246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.429246 (E_RNA)
where:
Base-Base interactions energy: -279.654
where: short stacking energy: -133.328
Base-Backbone interact. energy: 0.940
local terms energy: -126.714496
where:
bonds (distance) C4'-P energy: -21.566
bonds (distance) P-C4' energy: -22.563
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -21.902
tors. eta vs tors. theta energy: -38.582
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: 9
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -394.390146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.390146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.390146 (E_RNA)
where:
Base-Base interactions energy: -253.959
where: short stacking energy: -127.818
Base-Backbone interact. energy: -1.582
local terms energy: -138.849668
where:
bonds (distance) C4'-P energy: -24.829
bonds (distance) P-C4' energy: -24.621
flat angles C4'-P-C4' energy: -29.656
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -39.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -334.492288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.492288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.492288 (E_RNA)
where:
Base-Base interactions energy: -213.726
where: short stacking energy: -111.909
Base-Backbone interact. energy: -0.463
local terms energy: -120.303246
where:
bonds (distance) C4'-P energy: -24.771
bonds (distance) P-C4' energy: -21.920
flat angles C4'-P-C4' energy: -26.314
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -28.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -294.336510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.336510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.336510 (E_RNA)
where:
Base-Base interactions energy: -187.719
where: short stacking energy: -97.591
Base-Backbone interact. energy: -1.442
local terms energy: -105.175686
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -23.989
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -24.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -257.696802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.696802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.696802 (E_RNA)
where:
Base-Base interactions energy: -154.897
where: short stacking energy: -87.420
Base-Backbone interact. energy: -0.870
local terms energy: -101.929349
where:
bonds (distance) C4'-P energy: -22.484
bonds (distance) P-C4' energy: -19.328
flat angles C4'-P-C4' energy: -24.189
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -19.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -250.233529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.233529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.233529 (E_RNA)
where:
Base-Base interactions energy: -155.696
where: short stacking energy: -85.550
Base-Backbone interact. energy: 0.011
local terms energy: -94.549070
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -24.807
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -22.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -265.752475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.752475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.752475 (E_RNA)
where:
Base-Base interactions energy: -160.572
where: short stacking energy: -91.899
Base-Backbone interact. energy: -2.044
local terms energy: -103.136620
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -16.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -137.581619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.581619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.581619 (E_RNA)
where:
Base-Base interactions energy: -48.522
where: short stacking energy: -48.257
Base-Backbone interact. energy: 0.249
local terms energy: -89.308979
where:
bonds (distance) C4'-P energy: -25.866
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -18.539
tors. eta vs tors. theta energy: -6.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -130.422297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.422297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.422297 (E_RNA)
where:
Base-Base interactions energy: -51.255
where: short stacking energy: -50.042
Base-Backbone interact. energy: 1.149
local terms energy: -80.315700
where:
bonds (distance) C4'-P energy: -20.216
bonds (distance) P-C4' energy: -25.363
flat angles C4'-P-C4' energy: -20.480
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -413.050818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.050818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.050818 (E_RNA)
where:
Base-Base interactions energy: -267.087
where: short stacking energy: -131.497
Base-Backbone interact. energy: -0.260
local terms energy: -145.703891
where:
bonds (distance) C4'-P energy: -27.494
bonds (distance) P-C4' energy: -28.498
flat angles C4'-P-C4' energy: -31.624
flat angles P-C4'-P energy: -20.518
tors. eta vs tors. theta energy: -37.569
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: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -422.427315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.427315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.427315 (E_RNA)
where:
Base-Base interactions energy: -280.060
where: short stacking energy: -144.063
Base-Backbone interact. energy: -0.013
local terms energy: -142.354572
where:
bonds (distance) C4'-P energy: -24.284
bonds (distance) P-C4' energy: -27.187
flat angles C4'-P-C4' energy: -29.825
flat angles P-C4'-P energy: -17.341
tors. eta vs tors. theta energy: -43.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -376.636436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.636436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.636436 (E_RNA)
where:
Base-Base interactions energy: -252.680
where: short stacking energy: -129.948
Base-Backbone interact. energy: -1.123
local terms energy: -122.833840
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -29.790
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -32.595
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: 4, replica: 1
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -332.215799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.215799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.215799 (E_RNA)
where:
Base-Base interactions energy: -219.732
where: short stacking energy: -122.731
Base-Backbone interact. energy: 0.012
local terms energy: -112.495899
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -26.236
flat angles C4'-P-C4' energy: -23.878
flat angles P-C4'-P energy: -16.524
tors. eta vs tors. theta energy: -30.308
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: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -252.743714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.743714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.743714 (E_RNA)
where:
Base-Base interactions energy: -146.705
where: short stacking energy: -90.076
Base-Backbone interact. energy: -0.080
local terms energy: -105.959185
where:
bonds (distance) C4'-P energy: -25.590
bonds (distance) P-C4' energy: -25.544
flat angles C4'-P-C4' energy: -21.051
flat angles P-C4'-P energy: -17.695
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: 6, replica: 8
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -291.336804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.336804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.336804 (E_RNA)
where:
Base-Base interactions energy: -173.475
where: short stacking energy: -98.346
Base-Backbone interact. energy: -1.538
local terms energy: -116.323444
where:
bonds (distance) C4'-P energy: -21.053
bonds (distance) P-C4' energy: -27.225
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -20.205
tors. eta vs tors. theta energy: -25.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -256.466495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.466495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.466495 (E_RNA)
where:
Base-Base interactions energy: -152.417
where: short stacking energy: -78.633
Base-Backbone interact. energy: -0.295
local terms energy: -103.754736
where:
bonds (distance) C4'-P energy: -22.855
bonds (distance) P-C4' energy: -25.823
flat angles C4'-P-C4' energy: -23.756
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -242.835838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.835838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.835838 (E_RNA)
where:
Base-Base interactions energy: -154.347
where: short stacking energy: -97.391
Base-Backbone interact. energy: -0.078
local terms energy: -88.410267
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -23.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -128.655536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.655536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.655536 (E_RNA)
where:
Base-Base interactions energy: -47.133
where: short stacking energy: -40.724
Base-Backbone interact. energy: -1.497
local terms energy: -80.025193
where:
bonds (distance) C4'-P energy: -20.962
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -22.248
flat angles P-C4'-P energy: -17.674
tors. eta vs tors. theta energy: 0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -130.733346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.733346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.733346 (E_RNA)
where:
Base-Base interactions energy: -49.875
where: short stacking energy: -47.779
Base-Backbone interact. energy: -0.354
local terms energy: -80.505001
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -24.260
flat angles C4'-P-C4' energy: -16.993
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -5.133
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -416.689056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.689056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.689056 (E_RNA)
where:
Base-Base interactions energy: -283.500
where: short stacking energy: -137.046
Base-Backbone interact. energy: -0.032
local terms energy: -133.156680
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -23.464
flat angles C4'-P-C4' energy: -29.720
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -36.928
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: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -379.590018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.590018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.590018 (E_RNA)
where:
Base-Base interactions energy: -246.542
where: short stacking energy: -127.467
Base-Backbone interact. energy: 0.061
local terms energy: -133.109031
where:
bonds (distance) C4'-P energy: -23.304
bonds (distance) P-C4' energy: -22.136
flat angles C4'-P-C4' energy: -26.986
flat angles P-C4'-P energy: -23.727
tors. eta vs tors. theta energy: -36.957
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: 3, replica: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -398.672198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.672198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.672198 (E_RNA)
where:
Base-Base interactions energy: -261.211
where: short stacking energy: -130.962
Base-Backbone interact. energy: -0.099
local terms energy: -137.362259
where:
bonds (distance) C4'-P energy: -24.393
bonds (distance) P-C4' energy: -25.457
flat angles C4'-P-C4' energy: -29.621
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -38.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -333.555314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.555314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.555314 (E_RNA)
where:
Base-Base interactions energy: -197.021
where: short stacking energy: -101.875
Base-Backbone interact. energy: -0.341
local terms energy: -136.192883
where:
bonds (distance) C4'-P energy: -25.740
bonds (distance) P-C4' energy: -28.541
flat angles C4'-P-C4' energy: -30.432
flat angles P-C4'-P energy: -21.742
tors. eta vs tors. theta energy: -29.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -257.106016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.106016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.106016 (E_RNA)
where:
Base-Base interactions energy: -150.918
where: short stacking energy: -93.120
Base-Backbone interact. energy: -0.012
local terms energy: -106.175843
where:
bonds (distance) C4'-P energy: -23.486
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -23.034
flat angles P-C4'-P energy: -18.090
tors. eta vs tors. theta energy: -23.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -266.189239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.189239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.189239 (E_RNA)
where:
Base-Base interactions energy: -161.952
where: short stacking energy: -92.184
Base-Backbone interact. energy: -0.158
local terms energy: -104.078697
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -24.932
flat angles P-C4'-P energy: -19.113
tors. eta vs tors. theta energy: -20.843
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: 7, replica: 8
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -265.402275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.402275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.402275 (E_RNA)
where:
Base-Base interactions energy: -156.627
where: short stacking energy: -97.973
Base-Backbone interact. energy: -0.900
local terms energy: -107.875640
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -27.357
flat angles C4'-P-C4' energy: -26.357
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -23.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -238.710483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.710483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.710483 (E_RNA)
where:
Base-Base interactions energy: -136.701
where: short stacking energy: -78.892
Base-Backbone interact. energy: -1.115
local terms energy: -100.894836
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -22.314
flat angles C4'-P-C4' energy: -23.712
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -149.477088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.477088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.477088 (E_RNA)
where:
Base-Base interactions energy: -59.437
where: short stacking energy: -50.682
Base-Backbone interact. energy: -2.318
local terms energy: -87.722020
where:
bonds (distance) C4'-P energy: -25.239
bonds (distance) P-C4' energy: -26.746
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -127.015463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.015463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.015463 (E_RNA)
where:
Base-Base interactions energy: -42.492
where: short stacking energy: -36.170
Base-Backbone interact. energy: -0.569
local terms energy: -83.954386
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -22.446
flat angles P-C4'-P energy: -18.858
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -421.692563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.692563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.692563 (E_RNA)
where:
Base-Base interactions energy: -279.557
where: short stacking energy: -133.653
Base-Backbone interact. energy: -0.709
local terms energy: -141.426423
where:
bonds (distance) C4'-P energy: -23.586
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -27.427
flat angles P-C4'-P energy: -24.880
tors. eta vs tors. theta energy: -41.152
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: 9
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -391.171581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.171581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.171581 (E_RNA)
where:
Base-Base interactions energy: -253.890
where: short stacking energy: -129.617
Base-Backbone interact. energy: -0.023
local terms energy: -137.257858
where:
bonds (distance) C4'-P energy: -26.667
bonds (distance) P-C4' energy: -27.831
flat angles C4'-P-C4' energy: -28.794
flat angles P-C4'-P energy: -14.976
tors. eta vs tors. theta energy: -38.990
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: 2
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -410.760284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.760284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.760284 (E_RNA)
where:
Base-Base interactions energy: -272.805
where: short stacking energy: -130.740
Base-Backbone interact. energy: -0.124
local terms energy: -137.830928
where:
bonds (distance) C4'-P energy: -26.617
bonds (distance) P-C4' energy: -26.980
flat angles C4'-P-C4' energy: -25.008
flat angles P-C4'-P energy: -16.437
tors. eta vs tors. theta energy: -42.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -320.717821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.717821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.717821 (E_RNA)
where:
Base-Base interactions energy: -205.404
where: short stacking energy: -109.030
Base-Backbone interact. energy: -0.433
local terms energy: -114.880761
where:
bonds (distance) C4'-P energy: -26.012
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -20.267
tors. eta vs tors. theta energy: -28.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -286.226150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.226150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.226150 (E_RNA)
where:
Base-Base interactions energy: -171.968
where: short stacking energy: -109.760
Base-Backbone interact. energy: -0.848
local terms energy: -113.410887
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -26.650
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -26.257
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: 5
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -252.261978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.261978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.261978 (E_RNA)
where:
Base-Base interactions energy: -154.836
where: short stacking energy: -90.726
Base-Backbone interact. energy: -0.034
local terms energy: -97.392110
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -25.747
flat angles C4'-P-C4' energy: -22.803
flat angles P-C4'-P energy: -4.183
tors. eta vs tors. theta energy: -20.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -245.912940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.912940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.912940 (E_RNA)
where:
Base-Base interactions energy: -146.579
where: short stacking energy: -81.672
Base-Backbone interact. energy: -0.698
local terms energy: -98.636452
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -24.306
flat angles P-C4'-P energy: -18.088
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -240.297526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.297526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.297526 (E_RNA)
where:
Base-Base interactions energy: -146.991
where: short stacking energy: -84.549
Base-Backbone interact. energy: -0.627
local terms energy: -92.680014
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -20.974
flat angles P-C4'-P energy: -18.081
tors. eta vs tors. theta energy: -22.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -124.101772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.101772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.101772 (E_RNA)
where:
Base-Base interactions energy: -33.011
where: short stacking energy: -21.029
Base-Backbone interact. energy: -1.079
local terms energy: -90.011712
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -26.803
flat angles C4'-P-C4' energy: -20.534
flat angles P-C4'-P energy: -18.034
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -119.861379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.861379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.861379 (E_RNA)
where:
Base-Base interactions energy: -43.935
where: short stacking energy: -43.935
Base-Backbone interact. energy: -0.083
local terms energy: -75.843997
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -25.852
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -397.176168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.176168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.176168 (E_RNA)
where:
Base-Base interactions energy: -267.352
where: short stacking energy: -128.023
Base-Backbone interact. energy: -0.311
local terms energy: -129.512895
where:
bonds (distance) C4'-P energy: -24.355
bonds (distance) P-C4' energy: -25.210
flat angles C4'-P-C4' energy: -26.671
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -32.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -417.112937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.112937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.112937 (E_RNA)
where:
Base-Base interactions energy: -281.321
where: short stacking energy: -142.731
Base-Backbone interact. energy: -0.390
local terms energy: -135.401654
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -30.671
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -42.769
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: 9
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -376.448667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.448667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.448667 (E_RNA)
where:
Base-Base interactions energy: -242.385
where: short stacking energy: -120.496
Base-Backbone interact. energy: -0.246
local terms energy: -133.818341
where:
bonds (distance) C4'-P energy: -24.112
bonds (distance) P-C4' energy: -27.525
flat angles C4'-P-C4' energy: -26.511
flat angles P-C4'-P energy: -22.019
tors. eta vs tors. theta energy: -33.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -321.873938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.873938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.873938 (E_RNA)
where:
Base-Base interactions energy: -198.902
where: short stacking energy: -104.533
Base-Backbone interact. energy: -1.653
local terms energy: -121.318847
where:
bonds (distance) C4'-P energy: -27.022
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -26.115
flat angles P-C4'-P energy: -17.131
tors. eta vs tors. theta energy: -23.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -312.833762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.833762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.833762 (E_RNA)
where:
Base-Base interactions energy: -193.299
where: short stacking energy: -100.738
Base-Backbone interact. energy: -0.094
local terms energy: -119.440515
where:
bonds (distance) C4'-P energy: -22.572
bonds (distance) P-C4' energy: -25.173
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -23.557
tors. eta vs tors. theta energy: -27.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -280.170311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.170311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.170311 (E_RNA)
where:
Base-Base interactions energy: -172.475
where: short stacking energy: -95.930
Base-Backbone interact. energy: -0.608
local terms energy: -107.087486
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -25.332
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -22.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -227.455413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.455413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.455413 (E_RNA)
where:
Base-Base interactions energy: -130.335
where: short stacking energy: -74.625
Base-Backbone interact. energy: -0.388
local terms energy: -96.732350
where:
bonds (distance) C4'-P energy: -23.587
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -218.776503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.776503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.776503 (E_RNA)
where:
Base-Base interactions energy: -130.363
where: short stacking energy: -74.138
Base-Backbone interact. energy: -0.856
local terms energy: -87.557235
where:
bonds (distance) C4'-P energy: -21.157
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -10.275
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: 9, replica: 3
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -124.905816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.905816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.905816 (E_RNA)
where:
Base-Base interactions energy: -52.276
where: short stacking energy: -50.094
Base-Backbone interact. energy: 0.362
local terms energy: -72.992629
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -22.954
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -13.189
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: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -125.642738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.642738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.642738 (E_RNA)
where:
Base-Base interactions energy: -34.206
where: short stacking energy: -26.773
Base-Backbone interact. energy: -1.162
local terms energy: -90.275477
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -27.318
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -21.070
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -424.910208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.910208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.910208 (E_RNA)
where:
Base-Base interactions energy: -288.630
where: short stacking energy: -138.557
Base-Backbone interact. energy: -0.017
local terms energy: -136.262798
where:
bonds (distance) C4'-P energy: -25.317
bonds (distance) P-C4' energy: -25.885
flat angles C4'-P-C4' energy: -25.896
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -39.501
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: 4
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -412.919380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.919380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.919380 (E_RNA)
where:
Base-Base interactions energy: -264.907
where: short stacking energy: -133.370
Base-Backbone interact. energy: -1.424
local terms energy: -146.589233
where:
bonds (distance) C4'-P energy: -25.565
bonds (distance) P-C4' energy: -32.248
flat angles C4'-P-C4' energy: -29.080
flat angles P-C4'-P energy: -22.414
tors. eta vs tors. theta energy: -37.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -382.221872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.221872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.221872 (E_RNA)
where:
Base-Base interactions energy: -241.795
where: short stacking energy: -123.529
Base-Backbone interact. energy: -0.212
local terms energy: -140.214528
where:
bonds (distance) C4'-P energy: -27.812
bonds (distance) P-C4' energy: -26.602
flat angles C4'-P-C4' energy: -26.579
flat angles P-C4'-P energy: -22.515
tors. eta vs tors. theta energy: -36.706
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: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -331.313094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.313094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.313094 (E_RNA)
where:
Base-Base interactions energy: -208.450
where: short stacking energy: -117.829
Base-Backbone interact. energy: -0.302
local terms energy: -122.561259
where:
bonds (distance) C4'-P energy: -19.852
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -28.725
flat angles P-C4'-P energy: -20.210
tors. eta vs tors. theta energy: -32.441
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: 494
Temperature: 1.100000
Total energy: -284.947833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.947833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.947833 (E_RNA)
where:
Base-Base interactions energy: -172.201
where: short stacking energy: -96.949
Base-Backbone interact. energy: -0.292
local terms energy: -112.455013
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -25.888
flat angles P-C4'-P energy: -20.612
tors. eta vs tors. theta energy: -22.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -327.255215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.255215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.255215 (E_RNA)
where:
Base-Base interactions energy: -209.741
where: short stacking energy: -106.254
Base-Backbone interact. energy: -1.388
local terms energy: -116.126571
where:
bonds (distance) C4'-P energy: -24.178
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -23.264
flat angles P-C4'-P energy: -17.257
tors. eta vs tors. theta energy: -28.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -229.158594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.158594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.158594 (E_RNA)
where:
Base-Base interactions energy: -144.413
where: short stacking energy: -71.927
Base-Backbone interact. energy: -0.325
local terms energy: -84.421393
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -24.798
flat angles C4'-P-C4' energy: -21.071
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -216.834502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.834502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.834502 (E_RNA)
where:
Base-Base interactions energy: -123.214
where: short stacking energy: -71.550
Base-Backbone interact. energy: 1.393
local terms energy: -95.013325
where:
bonds (distance) C4'-P energy: -23.308
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -12.166
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: 6
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -122.816298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.816298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.816298 (E_RNA)
where:
Base-Base interactions energy: -44.189
where: short stacking energy: -42.625
Base-Backbone interact. energy: 1.302
local terms energy: -79.928962
where:
bonds (distance) C4'-P energy: -25.006
bonds (distance) P-C4' energy: -27.076
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: 0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -119.654858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.654858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.654858 (E_RNA)
where:
Base-Base interactions energy: -35.105
where: short stacking energy: -34.383
Base-Backbone interact. energy: -0.232
local terms energy: -84.318102
where:
bonds (distance) C4'-P energy: -20.258
bonds (distance) P-C4' energy: -26.712
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: 1.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -424.905578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.905578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.905578 (E_RNA)
where:
Base-Base interactions energy: -282.191
where: short stacking energy: -135.125
Base-Backbone interact. energy: -0.001
local terms energy: -142.713822
where:
bonds (distance) C4'-P energy: -28.410
bonds (distance) P-C4' energy: -27.245
flat angles C4'-P-C4' energy: -24.571
flat angles P-C4'-P energy: -20.766
tors. eta vs tors. theta energy: -41.721
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: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -407.910489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.910489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.910489 (E_RNA)
where:
Base-Base interactions energy: -276.537
where: short stacking energy: -131.122
Base-Backbone interact. energy: -1.241
local terms energy: -130.132810
where:
bonds (distance) C4'-P energy: -26.803
bonds (distance) P-C4' energy: -25.482
flat angles C4'-P-C4' energy: -25.889
flat angles P-C4'-P energy: -16.937
tors. eta vs tors. theta energy: -35.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -373.456290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.456290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.456290 (E_RNA)
where:
Base-Base interactions energy: -241.110
where: short stacking energy: -135.517
Base-Backbone interact. energy: -0.178
local terms energy: -132.168442
where:
bonds (distance) C4'-P energy: -22.775
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -29.888
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -38.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -307.689497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.689497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.689497 (E_RNA)
where:
Base-Base interactions energy: -192.334
where: short stacking energy: -104.133
Base-Backbone interact. energy: -0.502
local terms energy: -114.853513
where:
bonds (distance) C4'-P energy: -26.869
bonds (distance) P-C4' energy: -25.983
flat angles C4'-P-C4' energy: -25.726
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -22.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -323.491013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.491013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.491013 (E_RNA)
where:
Base-Base interactions energy: -212.079
where: short stacking energy: -105.871
Base-Backbone interact. energy: -0.214
local terms energy: -111.198433
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -17.215
tors. eta vs tors. theta energy: -31.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -257.046903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.046903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.046903 (E_RNA)
where:
Base-Base interactions energy: -154.678
where: short stacking energy: -80.631
Base-Backbone interact. energy: -0.578
local terms energy: -101.790772
where:
bonds (distance) C4'-P energy: -23.225
bonds (distance) P-C4' energy: -25.741
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -19.325
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: 7, replica: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -306.719240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.719240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.719240 (E_RNA)
where:
Base-Base interactions energy: -187.143
where: short stacking energy: -102.232
Base-Backbone interact. energy: -0.252
local terms energy: -119.324112
where:
bonds (distance) C4'-P energy: -22.821
bonds (distance) P-C4' energy: -28.190
flat angles C4'-P-C4' energy: -27.275
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -25.785
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: 5
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -209.913376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.913376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.913376 (E_RNA)
where:
Base-Base interactions energy: -105.495
where: short stacking energy: -66.308
Base-Backbone interact. energy: 0.498
local terms energy: -104.916351
where:
bonds (distance) C4'-P energy: -22.945
bonds (distance) P-C4' energy: -26.523
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -19.758
tors. eta vs tors. theta energy: -13.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -129.420011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.420011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.420011 (E_RNA)
where:
Base-Base interactions energy: -48.439
where: short stacking energy: -49.439
Base-Backbone interact. energy: 0.531
local terms energy: -81.511890
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -21.268
flat angles C4'-P-C4' energy: -28.528
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -134.239796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.239796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.239796 (E_RNA)
where:
Base-Base interactions energy: -55.047
where: short stacking energy: -47.690
Base-Backbone interact. energy: 0.179
local terms energy: -79.371526
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -27.317
flat angles C4'-P-C4' energy: -26.419
flat angles P-C4'-P energy: -11.398
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -427.168003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.168003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.168003 (E_RNA)
where:
Base-Base interactions energy: -285.388
where: short stacking energy: -138.733
Base-Backbone interact. energy: -0.002
local terms energy: -141.778865
where:
bonds (distance) C4'-P energy: -23.148
bonds (distance) P-C4' energy: -28.303
flat angles C4'-P-C4' energy: -28.373
flat angles P-C4'-P energy: -20.252
tors. eta vs tors. theta energy: -41.702
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: 2, replica: 4
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -404.642950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.642950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.642950 (E_RNA)
where:
Base-Base interactions energy: -274.230
where: short stacking energy: -136.616
Base-Backbone interact. energy: -0.400
local terms energy: -130.013108
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -29.160
flat angles C4'-P-C4' energy: -28.782
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -40.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -344.776049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.776049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.776049 (E_RNA)
where:
Base-Base interactions energy: -211.068
where: short stacking energy: -110.031
Base-Backbone interact. energy: -0.092
local terms energy: -133.615805
where:
bonds (distance) C4'-P energy: -26.685
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -25.366
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: -34.133
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: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -299.963451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.963451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.963451 (E_RNA)
where:
Base-Base interactions energy: -188.017
where: short stacking energy: -103.787
Base-Backbone interact. energy: -1.592
local terms energy: -110.354419
where:
bonds (distance) C4'-P energy: -20.357
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -27.219
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: -25.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -259.613789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.613789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.613789 (E_RNA)
where:
Base-Base interactions energy: -151.211
where: short stacking energy: -88.788
Base-Backbone interact. energy: -0.188
local terms energy: -108.215682
where:
bonds (distance) C4'-P energy: -23.163
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -24.083
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -322.311187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.311187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.311187 (E_RNA)
where:
Base-Base interactions energy: -211.459
where: short stacking energy: -129.632
Base-Backbone interact. energy: -0.132
local terms energy: -110.720195
where:
bonds (distance) C4'-P energy: -25.085
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -23.481
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -26.399
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: 1
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -302.515499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.515499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.515499 (E_RNA)
where:
Base-Base interactions energy: -183.588
where: short stacking energy: -93.867
Base-Backbone interact. energy: -0.878
local terms energy: -118.049610
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -29.116
flat angles C4'-P-C4' energy: -27.591
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -26.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -214.408981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.408981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.408981 (E_RNA)
where:
Base-Base interactions energy: -124.821
where: short stacking energy: -67.023
Base-Backbone interact. energy: -0.270
local terms energy: -89.318671
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -25.597
flat angles C4'-P-C4' energy: -23.607
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -3.913
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: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -148.985357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.985357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.985357 (E_RNA)
where:
Base-Base interactions energy: -66.885
where: short stacking energy: -53.955
Base-Backbone interact. energy: 0.396
local terms energy: -82.496349
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -27.518
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -14.142
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: 10, replica: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -121.822563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.822563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.822563 (E_RNA)
where:
Base-Base interactions energy: -44.228
where: short stacking energy: -38.935
Base-Backbone interact. energy: -0.419
local terms energy: -77.174906
where:
bonds (distance) C4'-P energy: -25.536
bonds (distance) P-C4' energy: -19.186
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -15.367
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -429.280716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.280716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.280716 (E_RNA)
where:
Base-Base interactions energy: -285.752
where: short stacking energy: -142.710
Base-Backbone interact. energy: -1.691
local terms energy: -141.838461
where:
bonds (distance) C4'-P energy: -27.755
bonds (distance) P-C4' energy: -25.477
flat angles C4'-P-C4' energy: -24.884
flat angles P-C4'-P energy: -20.927
tors. eta vs tors. theta energy: -42.795
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: 4
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -414.144192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.144192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.144192 (E_RNA)
where:
Base-Base interactions energy: -275.216
where: short stacking energy: -129.528
Base-Backbone interact. energy: -0.251
local terms energy: -138.677210
where:
bonds (distance) C4'-P energy: -27.130
bonds (distance) P-C4' energy: -27.059
flat angles C4'-P-C4' energy: -28.403
flat angles P-C4'-P energy: -19.504
tors. eta vs tors. theta energy: -36.582
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: 9
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -356.996151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.996151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.996151 (E_RNA)
where:
Base-Base interactions energy: -230.285
where: short stacking energy: -112.865
Base-Backbone interact. energy: -0.136
local terms energy: -126.574876
where:
bonds (distance) C4'-P energy: -24.265
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -18.458
tors. eta vs tors. theta energy: -32.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -320.757775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.757775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.757775 (E_RNA)
where:
Base-Base interactions energy: -202.533
where: short stacking energy: -111.520
Base-Backbone interact. energy: -0.861
local terms energy: -117.363256
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -25.194
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -26.817
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: 7
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -279.209020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.209020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.209020 (E_RNA)
where:
Base-Base interactions energy: -156.501
where: short stacking energy: -95.825
Base-Backbone interact. energy: -0.713
local terms energy: -121.995179
where:
bonds (distance) C4'-P energy: -24.910
bonds (distance) P-C4' energy: -26.219
flat angles C4'-P-C4' energy: -27.015
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -29.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -315.213043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.213043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.213043 (E_RNA)
where:
Base-Base interactions energy: -196.416
where: short stacking energy: -97.372
Base-Backbone interact. energy: -0.602
local terms energy: -118.194999
where:
bonds (distance) C4'-P energy: -31.133
bonds (distance) P-C4' energy: -25.766
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -25.050
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: 497
Temperature: 1.200000
Total energy: -249.531875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.531875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.531875 (E_RNA)
where:
Base-Base interactions energy: -158.295
where: short stacking energy: -72.652
Base-Backbone interact. energy: 0.030
local terms energy: -91.267290
where:
bonds (distance) C4'-P energy: -24.429
bonds (distance) P-C4' energy: -23.551
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -12.520
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: 8, replica: 5
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -226.408479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.408479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.408479 (E_RNA)
where:
Base-Base interactions energy: -136.587
where: short stacking energy: -80.919
Base-Backbone interact. energy: -0.112
local terms energy: -89.709417
where:
bonds (distance) C4'-P energy: -23.428
bonds (distance) P-C4' energy: -28.554
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -4.388
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -132.222936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.222936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.222936 (E_RNA)
where:
Base-Base interactions energy: -56.729
where: short stacking energy: -41.167
Base-Backbone interact. energy: -0.998
local terms energy: -74.495729
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -22.293
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: 3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -118.660321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.660321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.660321 (E_RNA)
where:
Base-Base interactions energy: -43.883
where: short stacking energy: -39.524
Base-Backbone interact. energy: 1.472
local terms energy: -76.249556
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -25.076
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -17.693
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -429.178734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.178734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.178734 (E_RNA)
where:
Base-Base interactions energy: -288.666
where: short stacking energy: -143.609
Base-Backbone interact. energy: -0.006
local terms energy: -140.506467
where:
bonds (distance) C4'-P energy: -29.215
bonds (distance) P-C4' energy: -26.594
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -42.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -391.617131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.617131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.617131 (E_RNA)
where:
Base-Base interactions energy: -260.253
where: short stacking energy: -123.188
Base-Backbone interact. energy: -0.567
local terms energy: -130.797517
where:
bonds (distance) C4'-P energy: -24.384
bonds (distance) P-C4' energy: -23.728
flat angles C4'-P-C4' energy: -27.775
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -39.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -348.699590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.699590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.699590 (E_RNA)
where:
Base-Base interactions energy: -219.802
where: short stacking energy: -113.682
Base-Backbone interact. energy: -0.892
local terms energy: -128.005590
where:
bonds (distance) C4'-P energy: -27.374
bonds (distance) P-C4' energy: -27.273
flat angles C4'-P-C4' energy: -26.101
flat angles P-C4'-P energy: -19.784
tors. eta vs tors. theta energy: -27.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -301.885498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.885498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.885498 (E_RNA)
where:
Base-Base interactions energy: -184.128
where: short stacking energy: -88.387
Base-Backbone interact. energy: -0.791
local terms energy: -116.966160
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -25.213
flat angles C4'-P-C4' energy: -26.720
flat angles P-C4'-P energy: -19.971
tors. eta vs tors. theta energy: -22.919
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: 5, replica: 1
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -315.720234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.720234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.720234 (E_RNA)
where:
Base-Base interactions energy: -197.326
where: short stacking energy: -109.996
Base-Backbone interact. energy: -1.340
local terms energy: -117.053385
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -26.859
flat angles C4'-P-C4' energy: -25.307
flat angles P-C4'-P energy: -16.611
tors. eta vs tors. theta energy: -23.822
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: 7
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -258.477558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.477558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.477558 (E_RNA)
where:
Base-Base interactions energy: -157.694
where: short stacking energy: -91.696
Base-Backbone interact. energy: -1.026
local terms energy: -99.757329
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -23.011
flat angles P-C4'-P energy: -18.760
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: 7, replica: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -283.840275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.840275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.840275 (E_RNA)
where:
Base-Base interactions energy: -183.798
where: short stacking energy: -91.511
Base-Backbone interact. energy: -0.836
local terms energy: -99.206549
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -19.290
tors. eta vs tors. theta energy: -19.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -197.546804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.546804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.546804 (E_RNA)
where:
Base-Base interactions energy: -107.089
where: short stacking energy: -61.995
Base-Backbone interact. energy: -0.252
local terms energy: -90.206016
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -17.961
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: 9, replica: 3
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -137.993771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.993771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.993771 (E_RNA)
where:
Base-Base interactions energy: -49.837
where: short stacking energy: -48.847
Base-Backbone interact. energy: 0.235
local terms energy: -88.392696
where:
bonds (distance) C4'-P energy: -27.233
bonds (distance) P-C4' energy: -27.189
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -5.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -146.097095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.097095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.097095 (E_RNA)
where:
Base-Base interactions energy: -63.490
where: short stacking energy: -39.666
Base-Backbone interact. energy: -0.607
local terms energy: -82.000588
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -25.241
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -13.604
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -428.296125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.296125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.296125 (E_RNA)
where:
Base-Base interactions energy: -280.962
where: short stacking energy: -141.165
Base-Backbone interact. energy: -1.057
local terms energy: -146.277502
where:
bonds (distance) C4'-P energy: -28.777
bonds (distance) P-C4' energy: -27.319
flat angles C4'-P-C4' energy: -27.816
flat angles P-C4'-P energy: -19.535
tors. eta vs tors. theta energy: -42.830
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: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -394.860573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.860573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.860573 (E_RNA)
where:
Base-Base interactions energy: -254.262
where: short stacking energy: -113.587
Base-Backbone interact. energy: -0.478
local terms energy: -140.121180
where:
bonds (distance) C4'-P energy: -24.372
bonds (distance) P-C4' energy: -28.606
flat angles C4'-P-C4' energy: -30.219
flat angles P-C4'-P energy: -22.349
tors. eta vs tors. theta energy: -34.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -354.060661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.060661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.060661 (E_RNA)
where:
Base-Base interactions energy: -224.753
where: short stacking energy: -128.731
Base-Backbone interact. energy: -0.057
local terms energy: -129.250776
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -26.872
flat angles C4'-P-C4' energy: -28.195
flat angles P-C4'-P energy: -17.075
tors. eta vs tors. theta energy: -33.405
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: 1
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -349.684346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.684346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.684346 (E_RNA)
where:
Base-Base interactions energy: -223.296
where: short stacking energy: -122.548
Base-Backbone interact. energy: -0.980
local terms energy: -125.408568
where:
bonds (distance) C4'-P energy: -25.763
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -26.010
flat angles P-C4'-P energy: -20.034
tors. eta vs tors. theta energy: -36.819
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: 499
Temperature: 1.100000
Total energy: -272.280211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.280211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.280211 (E_RNA)
where:
Base-Base interactions energy: -164.480
where: short stacking energy: -83.267
Base-Backbone interact. energy: -1.495
local terms energy: -106.305454
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -21.562
flat angles C4'-P-C4' energy: -29.102
flat angles P-C4'-P energy: -18.458
tors. eta vs tors. theta energy: -14.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -316.207750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.207750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.207750 (E_RNA)
where:
Base-Base interactions energy: -192.581
where: short stacking energy: -107.226
Base-Backbone interact. energy: -0.780
local terms energy: -122.846885
where:
bonds (distance) C4'-P energy: -22.366
bonds (distance) P-C4' energy: -26.879
flat angles C4'-P-C4' energy: -24.953
flat angles P-C4'-P energy: -19.675
tors. eta vs tors. theta energy: -28.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -253.847478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.847478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.847478 (E_RNA)
where:
Base-Base interactions energy: -141.108
where: short stacking energy: -78.243
Base-Backbone interact. energy: -0.373
local terms energy: -112.366853
where:
bonds (distance) C4'-P energy: -26.820
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -27.651
flat angles P-C4'-P energy: -18.639
tors. eta vs tors. theta energy: -18.085
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: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -222.402285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.402285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.402285 (E_RNA)
where:
Base-Base interactions energy: -130.726
where: short stacking energy: -75.228
Base-Backbone interact. energy: 0.130
local terms energy: -91.806241
where:
bonds (distance) C4'-P energy: -28.340
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -25.165
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -139.850424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.850424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.850424 (E_RNA)
where:
Base-Base interactions energy: -56.472
where: short stacking energy: -41.199
Base-Backbone interact. energy: 2.790
local terms energy: -86.168221
where:
bonds (distance) C4'-P energy: -19.532
bonds (distance) P-C4' energy: -28.692
flat angles C4'-P-C4' energy: -23.573
flat angles P-C4'-P energy: -15.364
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: 10, replica: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -135.066121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.066121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.066121 (E_RNA)
where:
Base-Base interactions energy: -61.371
where: short stacking energy: -58.518
Base-Backbone interact. energy: -0.427
local terms energy: -73.268373
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -23.932
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -12.767
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -424.563078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.563078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.563078 (E_RNA)
where:
Base-Base interactions energy: -283.698
where: short stacking energy: -145.736
Base-Backbone interact. energy: -0.002
local terms energy: -140.863269
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -24.553
flat angles C4'-P-C4' energy: -28.872
flat angles P-C4'-P energy: -20.968
tors. eta vs tors. theta energy: -41.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -403.730642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.730642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.730642 (E_RNA)
where:
Base-Base interactions energy: -269.318
where: short stacking energy: -122.915
Base-Backbone interact. energy: -1.284
local terms energy: -133.129419
where:
bonds (distance) C4'-P energy: -27.713
bonds (distance) P-C4' energy: -25.951
flat angles C4'-P-C4' energy: -25.764
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -35.445
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: 3, replica: 1
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -350.755539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.755539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.755539 (E_RNA)
where:
Base-Base interactions energy: -228.211
where: short stacking energy: -129.882
Base-Backbone interact. energy: -1.557
local terms energy: -120.987855
where:
bonds (distance) C4'-P energy: -27.800
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -29.815
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -36.533
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: 9
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -321.371395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.371395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.371395 (E_RNA)
where:
Base-Base interactions energy: -203.794
where: short stacking energy: -109.575
Base-Backbone interact. energy: -0.257
local terms energy: -117.320278
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -23.213
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: -28.373
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: 500
Temperature: 1.100000
Total energy: -322.537854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.537854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.537854 (E_RNA)
where:
Base-Base interactions energy: -206.963
where: short stacking energy: -113.616
Base-Backbone interact. energy: -0.237
local terms energy: -115.337421
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -26.971
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -30.611
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: 8
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -278.125385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.125385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.125385 (E_RNA)
where:
Base-Base interactions energy: -168.206
where: short stacking energy: -90.317
Base-Backbone interact. energy: -0.760
local terms energy: -109.159865
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -25.367
flat angles C4'-P-C4' energy: -25.143
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -21.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -232.310822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.310822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.310822 (E_RNA)
where:
Base-Base interactions energy: -132.688
where: short stacking energy: -70.939
Base-Backbone interact. energy: -1.492
local terms energy: -98.131680
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -30.552
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -14.810
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: 8, replica: 7
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -232.577825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.577825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.577825 (E_RNA)
where:
Base-Base interactions energy: -135.677
where: short stacking energy: -81.925
Base-Backbone interact. energy: 0.411
local terms energy: -97.312026
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -27.326
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -19.093
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: 9, replica: 3
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -139.948841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.948841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.948841 (E_RNA)
where:
Base-Base interactions energy: -59.689
where: short stacking energy: -36.833
Base-Backbone interact. energy: 0.278
local terms energy: -80.538604
where:
bonds (distance) C4'-P energy: -21.777
bonds (distance) P-C4' energy: -25.590
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -0.912
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: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -160.224152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.224152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.224152 (E_RNA)
where:
Base-Base interactions energy: -84.836
where: short stacking energy: -57.505
Base-Backbone interact. energy: -0.915
local terms energy: -74.472760
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -9.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
��������
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��������
��������
��������
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
==================================
temp. level: 1, replica: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -420.708092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.708092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.708092 (E_RNA)
where:
Base-Base interactions energy: -275.442
where: short stacking energy: -141.024
Base-Backbone interact. energy: -1.367
local terms energy: -143.898812
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -30.235
flat angles C4'-P-C4' energy: -31.154
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -40.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -362.467140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.467140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.467140 (E_RNA)
where:
Base-Base interactions energy: -222.611
where: short stacking energy: -116.524
Base-Backbone interact. energy: -1.523
local terms energy: -138.333656
where:
bonds (distance) C4'-P energy: -25.443
bonds (distance) P-C4' energy: -28.686
flat angles C4'-P-C4' energy: -26.881
flat angles P-C4'-P energy: -22.281
tors. eta vs tors. theta energy: -35.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -388.556796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.556796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.556796 (E_RNA)
where:
Base-Base interactions energy: -251.724
where: short stacking energy: -123.695
Base-Backbone interact. energy: -0.822
local terms energy: -136.011209
where:
bonds (distance) C4'-P energy: -27.722
bonds (distance) P-C4' energy: -26.156
flat angles C4'-P-C4' energy: -23.186
flat angles P-C4'-P energy: -21.701
tors. eta vs tors. theta energy: -37.247
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: 9
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -339.178289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.178289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.178289 (E_RNA)
where:
Base-Base interactions energy: -216.934
where: short stacking energy: -118.064
Base-Backbone interact. energy: -0.082
local terms energy: -122.163128
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -29.746
flat angles C4'-P-C4' energy: -24.526
flat angles P-C4'-P energy: -18.913
tors. eta vs tors. theta energy: -33.018
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: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -331.144943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.144943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.144943 (E_RNA)
where:
Base-Base interactions energy: -198.191
where: short stacking energy: -105.444
Base-Backbone interact. energy: -1.349
local terms energy: -131.604881
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -27.362
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: -34.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -271.823828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.823828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.823828 (E_RNA)
where:
Base-Base interactions energy: -166.056
where: short stacking energy: -82.944
Base-Backbone interact. energy: -0.310
local terms energy: -105.458327
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -27.307
flat angles C4'-P-C4' energy: -27.235
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -19.796
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: 7, replica: 5
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -216.835226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.835226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.835226 (E_RNA)
where:
Base-Base interactions energy: -113.745
where: short stacking energy: -60.560
Base-Backbone interact. energy: -0.567
local terms energy: -102.523019
where:
bonds (distance) C4'-P energy: -23.061
bonds (distance) P-C4' energy: -24.339
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -10.934
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: 7
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -224.569910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.569910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.569910 (E_RNA)
where:
Base-Base interactions energy: -132.585
where: short stacking energy: -65.051
Base-Backbone interact. energy: -0.313
local terms energy: -91.671676
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -24.815
flat angles C4'-P-C4' energy: -22.050
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: -14.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -134.243809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.243809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.243809 (E_RNA)
where:
Base-Base interactions energy: -51.261
where: short stacking energy: -47.127
Base-Backbone interact. energy: -0.086
local terms energy: -82.897182
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -27.333
flat angles C4'-P-C4' energy: -23.635
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -136.581954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.581954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.581954 (E_RNA)
where:
Base-Base interactions energy: -59.926
where: short stacking energy: -53.579
Base-Backbone interact. energy: -0.295
local terms energy: -76.360830
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -23.800
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -3.070
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)
replica 2 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 17213199
moves confirmed later: 18152396
all moves confirmed: 35365595
percent of confirmed moves: 4.420699
current total energy: -393.103450
recalc. total energy: -393.103450
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 23794792
moves confirmed later: 26605048
all moves confirmed: 50399840
percent of confirmed moves: 6.299980
current total energy: -324.942972
recalc. total energy: -324.942972
replica 9 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 26411536
moves confirmed later: 30132524
all moves confirmed: 56544060
percent of confirmed moves: 7.068008
current total energy: -315.718727
recalc. total energy: -315.718727
replica 4 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 17790430
moves confirmed later: 18947069
all moves confirmed: 36737499
percent of confirmed moves: 4.592187
current total energy: -305.512001
recalc. total energy: -305.512001
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 38690853
moves confirmed later: 46387793
all moves confirmed: 85078646
percent of confirmed moves: 10.634831
current total energy: -232.829181
recalc. total energy: -232.829181
replica 8 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 34646937
moves confirmed later: 41098714
all moves confirmed: 75745651
percent of confirmed moves: 9.468206
current total energy: -220.919807
recalc. total energy: -220.919807
replica 7 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 38440907
moves confirmed later: 46059120
all moves confirmed: 84500027
percent of confirmed moves: 10.562503
current total energy: -175.834851
recalc. total energy: -175.834851
replica 5 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 35633995
moves confirmed later: 42442681
all moves confirmed: 78076676
percent of confirmed moves: 9.759585
current total energy: -152.606621
recalc. total energy: -152.606621
replica 3 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 35903593
moves confirmed later: 42658219
all moves confirmed: 78561812
percent of confirmed moves: 9.820227
current total energy: -92.425632
recalc. total energy: -92.425632
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 45384208
moves confirmed later: 55330334
all moves confirmed: 100714542
percent of confirmed moves: 12.589318
current total energy: -77.063496
recalc. total energy: -77.063496
Time of doing 8000000 iterations: 3631.641 seconds